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Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.
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1 – 15 de 98 résultats
2

Theobromine, 99%

CAS: 83-67-0 Formule moléculaire: C7H8N4O2 Poids moléculaire (g/mol): 180.167 Numéro MDL: MFCD00022830 Clé InChI: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonyme: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin CID PubChem: 5429 ChEBI: CHEBI:28946 Nom IUPAC: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Poids moléculaire (g/mol) 180.167
Synonyme theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
Numéro MDL MFCD00022830
CAS 83-67-0
CID PubChem 5429
ChEBI CHEBI:28946
Nom IUPAC 3,7-dimethylpurine-2,6-dione
Clé InChI YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Formule moléculaire C7H8N4O2
3

7-Methylxanthine, 98%

CAS: 552-62-5 Formule moléculaire: C6H6N4O2 Poids moléculaire (g/mol): 166.14 Numéro MDL: MFCD00037979 Clé InChI: PFWLFWPASULGAN-UHFFFAOYSA-N Synonyme: 7-methylxanthine,heteroxanthine,heteroxanthin,7-methylxanthin,7-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-7-methylpurine,xanthine, 7-methyl,3,7-dihydro-7-methyl-1h-purine-2,6-dione,7-methyl-3,7-dihydro-1h-purine-2,6-dione,1h-purine-2,6-dione, 3,7-dihydro-7-methyl CID PubChem: 68374 ChEBI: CHEBI:48991 SMILES: CN1C=NC2=C1C(=O)NC(=O)N2

Poids moléculaire (g/mol) 166.14
Synonyme 7-methylxanthine,heteroxanthine,heteroxanthin,7-methylxanthin,7-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-7-methylpurine,xanthine, 7-methyl,3,7-dihydro-7-methyl-1h-purine-2,6-dione,7-methyl-3,7-dihydro-1h-purine-2,6-dione,1h-purine-2,6-dione, 3,7-dihydro-7-methyl
Numéro MDL MFCD00037979
CAS 552-62-5
CID PubChem 68374
ChEBI CHEBI:48991
Clé InChI PFWLFWPASULGAN-UHFFFAOYSA-N
SMILES CN1C=NC2=C1C(=O)NC(=O)N2
Formule moléculaire C6H6N4O2
4

Caffeine, 99.7%

CAS: 58-08-2 Formule moléculaire: C8H10N4O2 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00005758 Clé InChI: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonyme: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep CID PubChem: 2519 ChEBI: CHEBI:27732 Nom IUPAC: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

Poids moléculaire (g/mol) 194.19
Synonyme caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
Numéro MDL MFCD00005758
CAS 58-08-2
CID PubChem 2519
ChEBI CHEBI:27732
Nom IUPAC 1,3,7-trimethylpurine-2,6-dione
Clé InChI RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Formule moléculaire C8H10N4O2
5

2-Amino-6-hydroxy-8-mercaptopurine, 97%

CAS: 28128-40-7 Formule moléculaire: C5H5N5OS Poids moléculaire (g/mol): 183.19 Numéro MDL: MFCD00075623 Clé InChI: JHEKNTQSGTVPAO-UHFFFAOYSA-N Synonyme: 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one CID PubChem: 2725005 Nom IUPAC: 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one SMILES: C12=C(NC(=NC1=O)N)NC(=S)N2

Poids moléculaire (g/mol) 183.19
Synonyme 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one
Numéro MDL MFCD00075623
CAS 28128-40-7
CID PubChem 2725005
Nom IUPAC 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one
Clé InChI JHEKNTQSGTVPAO-UHFFFAOYSA-N
SMILES C12=C(NC(=NC1=O)N)NC(=S)N2
Formule moléculaire C5H5N5OS
7

Caffeine, 98.5%, specified according to the req. of USP/BP

CAS: 58-08-2 Formule moléculaire: C8H10N4O2 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00005758 Clé InChI: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonyme: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep CID PubChem: 2519 ChEBI: CHEBI:27732 Nom IUPAC: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

Poids moléculaire (g/mol) 194.19
Synonyme caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
Numéro MDL MFCD00005758
CAS 58-08-2
CID PubChem 2519
ChEBI CHEBI:27732
Nom IUPAC 1,3,7-trimethylpurine-2,6-dione
Clé InChI RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Formule moléculaire C8H10N4O2
8

Adenine Sulfate Dihydrate, >97%

CAS: 321-30-2 Formule moléculaire: C10H12N10O4S Poids moléculaire (g/mol): 368.33 Numéro MDL: MFCD00213655 Clé InChI: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonyme: adenine sulfate,adenine hemisulfate,7 h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m CID PubChem: 9449 Nom IUPAC: 7 H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

Poids moléculaire (g/mol) 368.33
Synonyme adenine sulfate,adenine hemisulfate,7 h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
Numéro MDL MFCD00213655
CAS 321-30-2
CID PubChem 9449
Nom IUPAC 7 H-purin-6-amine;sulfuric acid
Clé InChI LQXHSCOPYJCOMD-UHFFFAOYSA-N
SMILES OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Formule moléculaire C10H12N10O4S
9

Thermo Scientific Chemicals Xanthosine dihydrate, 99%

CAS: 5968-90-1 Formule moléculaire: C10H12N4O6·2H2O Poids moléculaire (g/mol): 320.26 Clé InChI: AQQAMLPKPXTPOL-GWTDSMLYSA-N Synonyme: xanthosine dihydrate,unii-1u62i480sp,9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate,xanthosine, dihydrate,xanthosine dihydrate mi,xanthosine,dihydrate,9-beta-d-ribofuranosyl xanthine dihydrate,9-,a-d-ribofuranosylxanthine,xanthosine, dihydrate 8ci,9ci CID PubChem: 91886582 Nom IUPAC: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O

Poids moléculaire (g/mol) 320.26
Synonyme xanthosine dihydrate,unii-1u62i480sp,9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate,xanthosine, dihydrate,xanthosine dihydrate mi,xanthosine,dihydrate,9-beta-d-ribofuranosyl xanthine dihydrate,9-,a-d-ribofuranosylxanthine,xanthosine, dihydrate 8ci,9ci
CAS 5968-90-1
CID PubChem 91886582
Nom IUPAC 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate
Clé InChI AQQAMLPKPXTPOL-GWTDSMLYSA-N
SMILES C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O
Formule moléculaire C10H12N4O6·2H2O
10

Thermo Scientific Chemicals Adenine sulfate, 98+%

CAS: 321-30-2 Formule moléculaire: C10H12N10O4S Poids moléculaire (g/mol): 368.33 Numéro MDL: MFCD00213655 Clé InChI: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonyme: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m CID PubChem: 9449 Nom IUPAC: 7H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

Poids moléculaire (g/mol) 368.33
Synonyme adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
Numéro MDL MFCD00213655
CAS 321-30-2
CID PubChem 9449
Nom IUPAC 7H-purin-6-amine;sulfuric acid
Clé InChI LQXHSCOPYJCOMD-UHFFFAOYSA-N
SMILES OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Formule moléculaire C10H12N10O4S
11

Doxofylline

CAS: 69975-86-6 Formule moléculaire: C11H14N4O4 Poids moléculaire (g/mol): 266.257 Numéro MDL: MFCD00865218 Clé InChI: HWXIGFIVGWUZAO-UHFFFAOYSA-N Synonyme: doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin CID PubChem: 50942 Nom IUPAC: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3

Poids moléculaire (g/mol) 266.257
Synonyme doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin
Numéro MDL MFCD00865218
CAS 69975-86-6
CID PubChem 50942
Nom IUPAC 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Clé InChI HWXIGFIVGWUZAO-UHFFFAOYSA-N
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
Formule moléculaire C11H14N4O4
12

Theobromine, 99%

CAS: 83-67-0 Formule moléculaire: C7H8N4O2 Poids moléculaire (g/mol): 180.17 Numéro MDL: MFCD00022830 Clé InChI: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonyme: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin CID PubChem: 5429 ChEBI: CHEBI:28946 Nom IUPAC: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Poids moléculaire (g/mol) 180.17
Synonyme theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
Numéro MDL MFCD00022830
CAS 83-67-0
CID PubChem 5429
ChEBI CHEBI:28946
Nom IUPAC 3,7-dimethylpurine-2,6-dione
Clé InChI YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Formule moléculaire C7H8N4O2
13

2-Thioxanthine, 98+%

CAS: 2487-40-3 Formule moléculaire: C5H4N4OS Poids moléculaire (g/mol): 168.174 Numéro MDL: MFCD00031505 Clé InChI: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonyme: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo CID PubChem: 1268185 Nom IUPAC: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2

Poids moléculaire (g/mol) 168.174
Synonyme 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo
Numéro MDL MFCD00031505
CAS 2487-40-3
CID PubChem 1268185
Nom IUPAC 2-sulfanylidene-3,7-dihydropurin-6-one
Clé InChI XNHFAGRBSMMFKL-UHFFFAOYSA-N
SMILES C1=NC2=C(N1)C(=O)NC(=S)N2
Formule moléculaire C5H4N4OS
14

1-Methyladenine, 95%, Thermo Scientific Chemicals

CAS: 5142-22-3 Formule moléculaire: C6H7N5 Poids moléculaire (g/mol): 149.16 Numéro MDL: MFCD00010532 Clé InChI: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonyme: 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine CID PubChem: 78821 ChEBI: CHEBI:18083 Nom IUPAC: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N

Poids moléculaire (g/mol) 149.16
Synonyme 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine
Numéro MDL MFCD00010532
CAS 5142-22-3
CID PubChem 78821
ChEBI CHEBI:18083
Nom IUPAC 1-methylpurin-6-amine
Clé InChI HPZMWTNATZPBIH-UHFFFAOYSA-N
SMILES CN1C=NC2=NC=NC2=C1N
Formule moléculaire C6H7N5
15

Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Formule moléculaire: C5H5N5 Poids moléculaire (g/mol): 135.13 Numéro MDL: MFCD00041790 Clé InChI: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonyme: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine CID PubChem: 190 ChEBI: CHEBI:16708 Nom IUPAC: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

Poids moléculaire (g/mol) 135.13
Synonyme adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
Numéro MDL MFCD00041790
CAS 73-24-5
CID PubChem 190
ChEBI CHEBI:16708
Nom IUPAC 7H-purin-6-amine
Clé InChI GFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES NC1=C2NC=NC2=NC=N1
Formule moléculaire C5H5N5