Imidazopyrimidines
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Résultats de la recherche filtrée
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 |
7-(2,3-Dihydroxypropyl)theophylline, 99%
CAS: 479-18-5 Formule moléculaire: C10H14N4O4 Poids moléculaire (g/mol): 254.24 Numéro MDL: MFCD00005759 Clé InChI: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonyme: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline CID PubChem: 3182 ChEBI: CHEBI:4728 Nom IUPAC: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
| Poids moléculaire (g/mol) | 254.24 |
|---|---|
| Synonyme | dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline |
| Numéro MDL | MFCD00005759 |
| CAS | 479-18-5 |
| CID PubChem | 3182 |
| ChEBI | CHEBI:4728 |
| Nom IUPAC | 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione |
| Clé InChI | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O |
| Formule moléculaire | C10H14N4O4 |
4,6-Dihydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98+%
CAS: 2465-59-0 Formule moléculaire: C5H4N4O2 Poids moléculaire (g/mol): 152.113 Numéro MDL: MFCD00056934 Clé InChI: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonyme: oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van CID PubChem: 4644 ChEBI: CHEBI:28315 Nom IUPAC: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1
| Poids moléculaire (g/mol) | 152.113 |
|---|---|
| Synonyme | oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van |
| Numéro MDL | MFCD00056934 |
| CAS | 2465-59-0 |
| CID PubChem | 4644 |
| ChEBI | CHEBI:28315 |
| Nom IUPAC | 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione |
| Clé InChI | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
| SMILES | C1=C2C(=NC(=O)NC2=O)NN1 |
| Formule moléculaire | C5H4N4O2 |
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 |
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 |
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 |
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 |
Theophylline monohydrate, 99%
CAS: 5967-84-0 Formule moléculaire: C7H10N4O3 Poids moléculaire (g/mol): 198.182 Numéro MDL: MFCD00151659 Clé InChI: INQSMEFCAIHTJG-UHFFFAOYSA-N Synonyme: theophylline monohydrate,quibron,quibron plus,theo-sav,dimethylxanthine,aerolate jr,theoclear-100,unii-c137dtr5rg,c7h8n4o2.h2o,theoclear l.a.-260 CID PubChem: 91268 Nom IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;hydrate SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.O
| Poids moléculaire (g/mol) | 198.182 |
|---|---|
| Synonyme | theophylline monohydrate,quibron,quibron plus,theo-sav,dimethylxanthine,aerolate jr,theoclear-100,unii-c137dtr5rg,c7h8n4o2.h2o,theoclear l.a.-260 |
| Numéro MDL | MFCD00151659 |
| CAS | 5967-84-0 |
| CID PubChem | 91268 |
| Nom IUPAC | 1,3-dimethyl-7H-purine-2,6-dione;hydrate |
| Clé InChI | INQSMEFCAIHTJG-UHFFFAOYSA-N |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.O |
| Formule moléculaire | C7H10N4O3 |
MilliporeSigma™ Adenine, ≥98%, Calbiochem™,
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 |
3-Isobutyl-1-methylxanthine
CAS: 28822-58-4 Formule moléculaire: C10H14N4O2 Poids moléculaire (g/mol): 222.25 Numéro MDL: MFCD00005584 Clé InChI: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonyme: 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine CID PubChem: 3758 ChEBI: CHEBI:43253 Nom IUPAC: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O
| Poids moléculaire (g/mol) | 222.25 |
|---|---|
| Synonyme | 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine |
| Numéro MDL | MFCD00005584 |
| CAS | 28822-58-4 |
| CID PubChem | 3758 |
| ChEBI | CHEBI:43253 |
| Nom IUPAC | 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione |
| Clé InChI | APIXJSLKIYYUKG-UHFFFAOYSA-N |
| SMILES | CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O |
| Formule moléculaire | C10H14N4O2 |
Thermo Scientific Chemicals 2'-O-Methyladenosine, 99%
CAS: 2140-79-6 Formule moléculaire: C11H15N5O4 Poids moléculaire (g/mol): 281.27 Numéro MDL: MFCD00056002 Clé InChI: FPUGCISOLXNPPC-IOSLPCCCSA-N Synonyme: 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b CID PubChem: 102213 ChEBI: CHEBI:69426 Nom IUPAC: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12
| Poids moléculaire (g/mol) | 281.27 |
|---|---|
| Synonyme | 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b |
| Numéro MDL | MFCD00056002 |
| CAS | 2140-79-6 |
| CID PubChem | 102213 |
| ChEBI | CHEBI:69426 |
| Nom IUPAC | (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol |
| Clé InChI | FPUGCISOLXNPPC-IOSLPCCCSA-N |
| SMILES | CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12 |
| Formule moléculaire | C11H15N5O4 |
3-Methylxanthine, 98+%
CAS: 1076-22-8 Formule moléculaire: C6H6N4O2 Poids moléculaire (g/mol): 166.14 Numéro MDL: MFCD00005580 Clé InChI: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonyme: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 CID PubChem: 70639 ChEBI: CHEBI:62207 Nom IUPAC: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2
| Poids moléculaire (g/mol) | 166.14 |
|---|---|
| Synonyme | 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 |
| Numéro MDL | MFCD00005580 |
| CAS | 1076-22-8 |
| CID PubChem | 70639 |
| ChEBI | CHEBI:62207 |
| Nom IUPAC | 3-methyl-7H-purine-2,6-dione |
| Clé InChI | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| SMILES | CN1C2=C(C(=O)NC1=O)NC=N2 |
| Formule moléculaire | C6H6N4O2 |
Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%
CAS: 362-75-4 Formule moléculaire: C13H17N5O4 Poids moléculaire (g/mol): 307.31 Numéro MDL: MFCD00005756 Clé InChI: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonyme: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 CID PubChem: 2723654 Nom IUPAC: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
| Poids moléculaire (g/mol) | 307.31 |
|---|---|
| Synonyme | 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 |
| Numéro MDL | MFCD00005756 |
| CAS | 362-75-4 |
| CID PubChem | 2723654 |
| Nom IUPAC | [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol |
| Clé InChI | LCCLUOXEZAHUNS-AUWRGFAENA-N |
| SMILES | CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12 |
| Formule moléculaire | C13H17N5O4 |
Caffeine, 99%
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 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 |
| Clé InChI | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Formule moléculaire | C8H10N4O2 |