Pyrimidines And Derivatives
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Filtered Search Results
6-chloropyrimidine-2,4-diamine, 97%, Thermo Scientific™
CAS: 156-83-2 Molecular Formula: C4H5ClN4 Molecular Weight (g/mol): 144.562 MDL Number: MFCD00006097 InChI Key: QJIUMVUZDYPQRT-UHFFFAOYSA-N Synonym: 4-chloro-2,6-diaminopyrimidine,2,4-diamino-6-chloropyrimidine,2,6-diamino-4-chloropyrimidine,6-chloro-2,4-diaminopyrimidine,6-chloro-pyrimidine-2,4-diamine,2,4-pyrimidinediamine, 6-chloro,4-chloro-2,6-diamino pyrimidine,2-amino-6-chloro-4-pyrimidinylamine,caap,minoxidil impurity b PubChem CID: 67432 IUPAC Name: 6-chloropyrimidine-2,4-diamine SMILES: C1=C(N=C(N=C1Cl)N)N
| PubChem CID | 67432 |
|---|---|
| CAS | 156-83-2 |
| Molecular Weight (g/mol) | 144.562 |
| MDL Number | MFCD00006097 |
| SMILES | C1=C(N=C(N=C1Cl)N)N |
| Synonym | 4-chloro-2,6-diaminopyrimidine,2,4-diamino-6-chloropyrimidine,2,6-diamino-4-chloropyrimidine,6-chloro-2,4-diaminopyrimidine,6-chloro-pyrimidine-2,4-diamine,2,4-pyrimidinediamine, 6-chloro,4-chloro-2,6-diamino pyrimidine,2-amino-6-chloro-4-pyrimidinylamine,caap,minoxidil impurity b |
| IUPAC Name | 6-chloropyrimidine-2,4-diamine |
| InChI Key | QJIUMVUZDYPQRT-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClN4 |
3-Pyrimidin-5-ylaniline, ≥97%, Thermo Scientific™
CAS: 69491-59-4 Molecular Formula: C10H9N3 Molecular Weight (g/mol): 171.203 MDL Number: MFCD06802522 InChI Key: DZEIKJMNXHOFHL-UHFFFAOYSA-N PubChem CID: 7162049 IUPAC Name: 3-pyrimidin-5-ylaniline SMILES: C1=CC(=CC(=C1)N)C2=CN=CN=C2
| PubChem CID | 7162049 |
|---|---|
| CAS | 69491-59-4 |
| Molecular Weight (g/mol) | 171.203 |
| MDL Number | MFCD06802522 |
| SMILES | C1=CC(=CC(=C1)N)C2=CN=CN=C2 |
| IUPAC Name | 3-pyrimidin-5-ylaniline |
| InChI Key | DZEIKJMNXHOFHL-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3 |
ethyle2-amino-4-methylpyrimidine-5-carboxylate, 97%, Thermo Scientific™
CAS: 81633-29-6 Molecular Formula: C8H11N3O2 Molecular Weight (g/mol): 181.20 MDL Number: MFCD00052622 InChI Key: YBFVMJRSZCVJJP-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester,2-amino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester,acmc-209plx,maybridge1_003176,ethyl2-amino-4-methylpyrimidine-5-carboxylate,2-amino-5-ethoxycarbonyl-4-methylpyrimidine,ethyl 2-amino-4-methyl-pyrimidine-5-carboxylate,ethyl 2-amino-4-methylpyrimidine-5-carboxylate,2-amino-4-methyl-5-pyrimidinecarboxylic acid, ethyl ester,5-pyrimidinecarboxylicacid, 2-amino-4-methyl-, ethyl ester PubChem CID: 459813 IUPAC Name: ethyl 2-amino-4-methylpyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N)N=C1C
| PubChem CID | 459813 |
|---|---|
| CAS | 81633-29-6 |
| Molecular Weight (g/mol) | 181.20 |
| MDL Number | MFCD00052622 |
| SMILES | CCOC(=O)C1=CN=C(N)N=C1C |
| Synonym | 2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester,2-amino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester,acmc-209plx,maybridge1_003176,ethyl2-amino-4-methylpyrimidine-5-carboxylate,2-amino-5-ethoxycarbonyl-4-methylpyrimidine,ethyl 2-amino-4-methyl-pyrimidine-5-carboxylate,ethyl 2-amino-4-methylpyrimidine-5-carboxylate,2-amino-4-methyl-5-pyrimidinecarboxylic acid, ethyl ester,5-pyrimidinecarboxylicacid, 2-amino-4-methyl-, ethyl ester |
| IUPAC Name | ethyl 2-amino-4-methylpyrimidine-5-carboxylate |
| InChI Key | YBFVMJRSZCVJJP-UHFFFAOYSA-N |
| Molecular Formula | C8H11N3O2 |
(4-Pyrimidin-5-ylphenyl)methanol, ≥97%, Thermo Scientific™
CAS: 198084-13-8 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD06802874 InChI Key: QPOIDCHBWLGFGU-UHFFFAOYSA-N Synonym: 4-pyrimidin-5-ylphenyl methanol,4-pyrimidin-5-yl phenyl methanol,4-5-pyrimidinyl phenyl methanol,4-pyrimidin-5-yl-phenyl-methanol,4-5-pyrimidinyl-benzyl alcohol,benzenemethanol,4-5-pyrimidinyl,4-pyrimidin-5-ylphenyl methan-1-ol,swx PubChem CID: 7162046 IUPAC Name: (4-pyrimidin-5-ylphenyl)methanol SMILES: C1=CC(=CC=C1CO)C2=CN=CN=C2
| PubChem CID | 7162046 |
|---|---|
| CAS | 198084-13-8 |
| Molecular Weight (g/mol) | 186.214 |
| MDL Number | MFCD06802874 |
| SMILES | C1=CC(=CC=C1CO)C2=CN=CN=C2 |
| Synonym | 4-pyrimidin-5-ylphenyl methanol,4-pyrimidin-5-yl phenyl methanol,4-5-pyrimidinyl phenyl methanol,4-pyrimidin-5-yl-phenyl-methanol,4-5-pyrimidinyl-benzyl alcohol,benzenemethanol,4-5-pyrimidinyl,4-pyrimidin-5-ylphenyl methan-1-ol,swx |
| IUPAC Name | (4-pyrimidin-5-ylphenyl)methanol |
| InChI Key | QPOIDCHBWLGFGU-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
5-Pyrimidinecarboxylic acid, 97%, Thermo Scientific™
CAS: 4595-61-3 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00856162 InChI Key: IIVUJUOJERNGQX-UHFFFAOYSA-N Synonym: 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid PubChem CID: 78346 IUPAC Name: pyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=CN=C1
| PubChem CID | 78346 |
|---|---|
| CAS | 4595-61-3 |
| Molecular Weight (g/mol) | 124.10 |
| MDL Number | MFCD00856162 |
| SMILES | OC(=O)C1=CN=CN=C1 |
| Synonym | 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid |
| IUPAC Name | pyrimidine-5-carboxylic acid |
| InChI Key | IIVUJUOJERNGQX-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |
(3-Pyrimidin-5-ylphenyl)methanol, ≥97%, Thermo Scientific™
CAS: 852180-75-7 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD06802882 InChI Key: PUCNXFUXTNDXKP-UHFFFAOYSA-N Synonym: 3-pyrimidin-5-ylphenyl methanol,3-pyrimidin-5-yl phenyl methanol,3-5-pyrimidinyl phenyl methanol,benzenemethanol,3-5-pyrimidinyl,3-pyrimidin-5-ylphenyl methan-1-ol PubChem CID: 7162050 SMILES: OCC1=CC=CC(=C1)C1=CN=CN=C1
| PubChem CID | 7162050 |
|---|---|
| CAS | 852180-75-7 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD06802882 |
| SMILES | OCC1=CC=CC(=C1)C1=CN=CN=C1 |
| Synonym | 3-pyrimidin-5-ylphenyl methanol,3-pyrimidin-5-yl phenyl methanol,3-5-pyrimidinyl phenyl methanol,benzenemethanol,3-5-pyrimidinyl,3-pyrimidin-5-ylphenyl methan-1-ol |
| InChI Key | PUCNXFUXTNDXKP-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
2,4-Dihydroxypyrimidine-5-carboxylic acid, 98%
CAS: 23945-44-0 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.1 MDL Number: MFCD00149397 InChI Key: ZXYAAVBXHKCJJB-UHFFFAOYSA-N Synonym: 2,4-dihydroxypyrimidine-5-carboxylic acid,uracil 5-carboxylic acid,isoorotic acid,uracil-5-carboxylic acid,5-carboxyuracil,2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid,2,4-dihydroxy-5-pyrimidinecarboxylic acid,5-uracilcarboxylic acid,5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo,uracil 5-carboxylate PubChem CID: 90301 ChEBI: CHEBI:17477 IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid SMILES: C1=C(C(=O)NC(=O)N1)C(=O)O
| PubChem CID | 90301 |
|---|---|
| CAS | 23945-44-0 |
| Molecular Weight (g/mol) | 156.1 |
| ChEBI | CHEBI:17477 |
| MDL Number | MFCD00149397 |
| SMILES | C1=C(C(=O)NC(=O)N1)C(=O)O |
| Synonym | 2,4-dihydroxypyrimidine-5-carboxylic acid,uracil 5-carboxylic acid,isoorotic acid,uracil-5-carboxylic acid,5-carboxyuracil,2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid,2,4-dihydroxy-5-pyrimidinecarboxylic acid,5-uracilcarboxylic acid,5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo,uracil 5-carboxylate |
| IUPAC Name | 2,4-dioxo-1H-pyrimidine-5-carboxylic acid |
| InChI Key | ZXYAAVBXHKCJJB-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O4 |
5-Aminouracil, 98%
CAS: 932-52-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00006025 InChI Key: BISHACNKZIBDFM-UHFFFAOYSA-N Synonym: 5-aminouracil,5-amino-2,4-dihydroxypyrimidine,uracil, 5-amino,2,4 1h,3h-pyrimidinedione, 5-amino,2,4-dihydroxy-5-aminopyrimidine,unii-r2o7eky9g9,r2o7eky9g9,5-aminopyrimidine-2,4-diol,5-amino-1,3-dihydropyrimidine-2,4-dione,wbu PubChem CID: 13611 ChEBI: CHEBI:46348 IUPAC Name: 5-amino-1H-pyrimidine-2,4-dione SMILES: NC1=CNC(=O)NC1=O
| PubChem CID | 13611 |
|---|---|
| CAS | 932-52-5 |
| Molecular Weight (g/mol) | 127.10 |
| ChEBI | CHEBI:46348 |
| MDL Number | MFCD00006025 |
| SMILES | NC1=CNC(=O)NC1=O |
| Synonym | 5-aminouracil,5-amino-2,4-dihydroxypyrimidine,uracil, 5-amino,2,4 1h,3h-pyrimidinedione, 5-amino,2,4-dihydroxy-5-aminopyrimidine,unii-r2o7eky9g9,r2o7eky9g9,5-aminopyrimidine-2,4-diol,5-amino-1,3-dihydropyrimidine-2,4-dione,wbu |
| IUPAC Name | 5-amino-1H-pyrimidine-2,4-dione |
| InChI Key | BISHACNKZIBDFM-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O2 |
4-Amino-6-chloro-2-methylmercaptopyrimidine, 97%
CAS: 1005-38-5 Molecular Formula: C5H6ClN3S Molecular Weight (g/mol): 175.64 MDL Number: MFCD00006088 InChI Key: ISUXMAHVLFRZQU-UHFFFAOYSA-N Synonym: 4-amino-6-chloro-2-methylthio pyrimidine,4-amino-6-chloro-2-methylmercaptopyrimidine,4-pyrimidinamine, 6-chloro-2-methylthio,6-chloro-2-methylsulfanyl pyrimidin-4-amine,6-chloro-2-methylthio pyrimidin-4-amine,pyrimidine, 4-amino-6-chloro-2-methylthio,4-amino-6-chloro-2-methylthiopyrimidine,6-chloro-2-methylthiopyrimidin-4-ylamine,6-amino-4-chloro-2-methylmercaptopyrimidine,6-chloro-2-methylsulfanyl-pyrimidin-4-amine PubChem CID: 70496 IUPAC Name: 6-chloro-2-methylsulfanylpyrimidin-4-amine SMILES: CSC1=NC(=CC(=N1)Cl)N
| PubChem CID | 70496 |
|---|---|
| CAS | 1005-38-5 |
| Molecular Weight (g/mol) | 175.64 |
| MDL Number | MFCD00006088 |
| SMILES | CSC1=NC(=CC(=N1)Cl)N |
| Synonym | 4-amino-6-chloro-2-methylthio pyrimidine,4-amino-6-chloro-2-methylmercaptopyrimidine,4-pyrimidinamine, 6-chloro-2-methylthio,6-chloro-2-methylsulfanyl pyrimidin-4-amine,6-chloro-2-methylthio pyrimidin-4-amine,pyrimidine, 4-amino-6-chloro-2-methylthio,4-amino-6-chloro-2-methylthiopyrimidine,6-chloro-2-methylthiopyrimidin-4-ylamine,6-amino-4-chloro-2-methylmercaptopyrimidine,6-chloro-2-methylsulfanyl-pyrimidin-4-amine |
| IUPAC Name | 6-chloro-2-methylsulfanylpyrimidin-4-amine |
| InChI Key | ISUXMAHVLFRZQU-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN3S |
2-Aminopyrimidine, 98%
CAS: 109-12-6 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.11 MDL Number: MFCD00006089 InChI Key: LJXQPZWIHJMPQQ-UHFFFAOYSA-N Synonym: 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino PubChem CID: 7978 ChEBI: CHEBI:38618 IUPAC Name: pyrimidin-2-amine SMILES: NC1=NC=CC=N1
| PubChem CID | 7978 |
|---|---|
| CAS | 109-12-6 |
| Molecular Weight (g/mol) | 95.11 |
| ChEBI | CHEBI:38618 |
| MDL Number | MFCD00006089 |
| SMILES | NC1=NC=CC=N1 |
| Synonym | 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino |
| IUPAC Name | pyrimidin-2-amine |
| InChI Key | LJXQPZWIHJMPQQ-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3 |
2-Hydroxypyrimidine hydrochloride, 98%
CAS: 38353-09-2 Molecular Formula: C4H4N2O·ClH Molecular Weight (g/mol): 132.55 MDL Number: MFCD00012781 InChI Key: IAJINJSFYTZPEJ-UHFFFAOYSA-N Synonym: 2-hydroxypyrimidine hydrochloride,pyrimidin-2-ol hydrochloride,2 1h-pyrimidinone, monohydrochloride,2-hydroxypyrimidine hcl,2-pyrimidinone hydrochloride,pyrimidin-2 1h-one hydrochloride,2-hydroxypyrimidinehydrochloride,pyrimidin-2-one monohydrochloride,1,2-dihydropyrimidin-2-one hydrochloride,pyrimidin-2-one hydrochloride PubChem CID: 122774 IUPAC Name: 1H-pyrimidin-2-one;hydrochloride SMILES: C1=CNC(=O)N=C1.Cl
| PubChem CID | 122774 |
|---|---|
| CAS | 38353-09-2 |
| Molecular Weight (g/mol) | 132.55 |
| MDL Number | MFCD00012781 |
| SMILES | C1=CNC(=O)N=C1.Cl |
| Synonym | 2-hydroxypyrimidine hydrochloride,pyrimidin-2-ol hydrochloride,2 1h-pyrimidinone, monohydrochloride,2-hydroxypyrimidine hcl,2-pyrimidinone hydrochloride,pyrimidin-2 1h-one hydrochloride,2-hydroxypyrimidinehydrochloride,pyrimidin-2-one monohydrochloride,1,2-dihydropyrimidin-2-one hydrochloride,pyrimidin-2-one hydrochloride |
| IUPAC Name | 1H-pyrimidin-2-one;hydrochloride |
| InChI Key | IAJINJSFYTZPEJ-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O·ClH |
4-Hydroxyquinazoline, 98%, Thermo Scientific™
CAS: 491-36-1 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD00511302 InChI Key: QMNUDYFKZYBWQX-UHFFFAOYSA-N Synonym: 4-hydroxyquinazoline,4-quinazolinol,quinazolin-4-ol,quinazolin-4 3h-one,4 3h-quinazolinone,4-quinazolone,4-quinazolinone,4 1h-quinazolinone,4-oxoquinazoline,3,4-dihydroquinazolin-4-one PubChem CID: 63112 IUPAC Name: 1H-quinazolin-4-one SMILES: C1=CC=C2C(=C1)C(=O)N=CN2
| PubChem CID | 63112 |
|---|---|
| CAS | 491-36-1 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD00511302 |
| SMILES | C1=CC=C2C(=C1)C(=O)N=CN2 |
| Synonym | 4-hydroxyquinazoline,4-quinazolinol,quinazolin-4-ol,quinazolin-4 3h-one,4 3h-quinazolinone,4-quinazolone,4-quinazolinone,4 1h-quinazolinone,4-oxoquinazoline,3,4-dihydroquinazolin-4-one |
| IUPAC Name | 1H-quinazolin-4-one |
| InChI Key | QMNUDYFKZYBWQX-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
2-Amino-4-hydroxy-6-methylpyrimidine, 99%
CAS: 3977-29-5 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 MDL Number: MFCD00006095 InChI Key: KWXIPEYKZKIAKR-UHFFFAOYSA-N Synonym: 2-amino-4-hydroxy-6-methylpyrimidine,2-amino-6-methylpyrimidin-4-ol,6-methylisocytosine,mecytosine,2-amino-6-methylpyrimidin-4 3h-one,superacil,superacyl,4-methylisocytosine,2-amino-6-hydroxy-4-methylpyrimidine,2-amino-6-methyl-4-pyrimidinol PubChem CID: 1532 ChEBI: CHEBI:58959 IUPAC Name: 2-amino-6-methyl-1H-pyrimidin-4-one SMILES: CC1=CC(=O)N=C(N1)N
| PubChem CID | 1532 |
|---|---|
| CAS | 3977-29-5 |
| Molecular Weight (g/mol) | 125.13 |
| ChEBI | CHEBI:58959 |
| MDL Number | MFCD00006095 |
| SMILES | CC1=CC(=O)N=C(N1)N |
| Synonym | 2-amino-4-hydroxy-6-methylpyrimidine,2-amino-6-methylpyrimidin-4-ol,6-methylisocytosine,mecytosine,2-amino-6-methylpyrimidin-4 3h-one,superacil,superacyl,4-methylisocytosine,2-amino-6-hydroxy-4-methylpyrimidine,2-amino-6-methyl-4-pyrimidinol |
| IUPAC Name | 2-amino-6-methyl-1H-pyrimidin-4-one |
| InChI Key | KWXIPEYKZKIAKR-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O |
4,6-Dichloropyrimidine, 97%
CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: ClC1=CC(Cl)=NC=N1
| PubChem CID | 70943 |
|---|---|
| CAS | 1193-21-1 |
| Molecular Weight (g/mol) | 148.97 |
| MDL Number | MFCD00006109 |
| SMILES | ClC1=CC(Cl)=NC=N1 |
| Synonym | pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine |
| IUPAC Name | 4,6-dichloropyrimidine |
| InChI Key | XJPZKYIHCLDXST-UHFFFAOYSA-N |
| Molecular Formula | C4H2Cl2N2 |
Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
| PubChem CID | 6202 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.26 |
| ChEBI | CHEBI:49105 |
| MDL Number | MFCD00012780 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H17ClN4OS·HCl |