Organoheterocyclic compounds
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1-(3-Aminopropyl)imidazole, 98%
CAS: 5036-48-6 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.18 MDL Number: MFCD00009819 InChI Key: KDHWOCLBMVSZPG-UHFFFAOYSA-N Synonym: 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine PubChem CID: 78736 SMILES: NCCCN1C=CN=C1
| PubChem CID | 78736 |
|---|---|
| CAS | 5036-48-6 |
| Molecular Weight (g/mol) | 125.18 |
| MDL Number | MFCD00009819 |
| SMILES | NCCCN1C=CN=C1 |
| Synonym | 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine |
| InChI Key | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
| Molecular Formula | C6H11N3 |
Ethyl isonipecotate, 98+%
CAS: 1126-09-6 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.21 MDL Number: MFCD00006003 InChI Key: RUJPPJYDHHAEEK-UHFFFAOYSA-N Synonym: ethyl 4-piperidinecarboxylate,ethyl isonipecotate,piperidine-4-carboxylic acid ethyl ester,ethylpiperidine-4-carboxylate,4-piperidinecarboxylic acid, ethyl ester,isonipecotic acid ethyl ester,4-piperidinecarboxylic acid ethyl ester,4-carbethoxypiperidine,4-carboethoxypiperidine,4-ethoxycarbonyl piperidine PubChem CID: 70770 IUPAC Name: ethyl piperidine-4-carboxylate SMILES: CCOC(=O)C1CCNCC1
| PubChem CID | 70770 |
|---|---|
| CAS | 1126-09-6 |
| Molecular Weight (g/mol) | 157.21 |
| MDL Number | MFCD00006003 |
| SMILES | CCOC(=O)C1CCNCC1 |
| Synonym | ethyl 4-piperidinecarboxylate,ethyl isonipecotate,piperidine-4-carboxylic acid ethyl ester,ethylpiperidine-4-carboxylate,4-piperidinecarboxylic acid, ethyl ester,isonipecotic acid ethyl ester,4-piperidinecarboxylic acid ethyl ester,4-carbethoxypiperidine,4-carboethoxypiperidine,4-ethoxycarbonyl piperidine |
| IUPAC Name | ethyl piperidine-4-carboxylate |
| InChI Key | RUJPPJYDHHAEEK-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO2 |
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 |
3-Picoline, 99%
CAS: 108-99-6 Molecular Formula: C6H7N Molecular Weight (g/mol): 93.129 MDL Number: MFCD00006402 InChI Key: ITQTTZVARXURQS-UHFFFAOYSA-N Synonym: 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine PubChem CID: 7970 ChEBI: CHEBI:39922 IUPAC Name: 3-methylpyridine SMILES: CC1=CN=CC=C1
| PubChem CID | 7970 |
|---|---|
| CAS | 108-99-6 |
| Molecular Weight (g/mol) | 93.129 |
| ChEBI | CHEBI:39922 |
| MDL Number | MFCD00006402 |
| SMILES | CC1=CN=CC=C1 |
| Synonym | 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine |
| IUPAC Name | 3-methylpyridine |
| InChI Key | ITQTTZVARXURQS-UHFFFAOYSA-N |
| Molecular Formula | C6H7N |
1-(2,4-Difluorophenyl)piperazine, 99%, Thermo Scientific™
CAS: 115761-79-0 Molecular Formula: C10H12F2N2 Molecular Weight (g/mol): 198.217 MDL Number: MFCD00082588 InChI Key: CMCSPBOWEYUGHB-UHFFFAOYSA-N PubChem CID: 2734637 IUPAC Name: 1-(2,4-difluorophenyl)piperazine SMILES: C1CN(CCN1)C2=C(C=C(C=C2)F)F
| PubChem CID | 2734637 |
|---|---|
| CAS | 115761-79-0 |
| Molecular Weight (g/mol) | 198.217 |
| MDL Number | MFCD00082588 |
| SMILES | C1CN(CCN1)C2=C(C=C(C=C2)F)F |
| IUPAC Name | 1-(2,4-difluorophenyl)piperazine |
| InChI Key | CMCSPBOWEYUGHB-UHFFFAOYSA-N |
| Molecular Formula | C10H12F2N2 |
1-Boc-3-piperidone, 97%
CAS: 98977-36-7 Molecular Formula: C10H17NO3 Molecular Weight (g/mol): 199.25 MDL Number: MFCD01631193 InChI Key: RIFXIGDBUBXKEI-UHFFFAOYSA-N Synonym: 1-boc-3-piperidone,1-boc-3-piperidinone,n-boc-3-piperidone,1-n-boc-3-piperidone,n-boc-3-piperidinone,boc-3-piperidone,1-tert-butoxycarbonyl-3-piperidone,3-oxo-piperidine-1-carboxylic acid tert-butyl ester,3-oxopiperidine, n-boc protected,tert-butyl 3-oxopiperidinecarboxylate PubChem CID: 2756825 IUPAC Name: tert-butyl 3-oxopiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)C1
| PubChem CID | 2756825 |
|---|---|
| CAS | 98977-36-7 |
| Molecular Weight (g/mol) | 199.25 |
| MDL Number | MFCD01631193 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(=O)C1 |
| Synonym | 1-boc-3-piperidone,1-boc-3-piperidinone,n-boc-3-piperidone,1-n-boc-3-piperidone,n-boc-3-piperidinone,boc-3-piperidone,1-tert-butoxycarbonyl-3-piperidone,3-oxo-piperidine-1-carboxylic acid tert-butyl ester,3-oxopiperidine, n-boc protected,tert-butyl 3-oxopiperidinecarboxylate |
| IUPAC Name | tert-butyl 3-oxopiperidine-1-carboxylate |
| InChI Key | RIFXIGDBUBXKEI-UHFFFAOYSA-N |
| Molecular Formula | C10H17NO3 |
N-Methylmaleimide, 97%
CAS: 930-88-1 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005508 InChI Key: SEEYREPSKCQBBF-UHFFFAOYSA-N Synonym: n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione PubChem CID: 70261 IUPAC Name: 1-methylpyrrole-2,5-dione SMILES: CN1C(=O)C=CC1=O
| PubChem CID | 70261 |
|---|---|
| CAS | 930-88-1 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00005508 |
| SMILES | CN1C(=O)C=CC1=O |
| Synonym | n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione |
| IUPAC Name | 1-methylpyrrole-2,5-dione |
| InChI Key | SEEYREPSKCQBBF-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
2-Hydroxypyridine N-oxide, 98+%
CAS: 13161-30-3 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00006195 InChI Key: SNUSZUYTMHKCPM-UHFFFAOYSA-N Synonym: 2-pyridinol-1-oxide,2-hydroxypyridine 1-oxide,2-hydroxypyridine n-oxide,1-hydroxypyridin-2 1h-one,2-hydroxypyridine-n-oxide,hydroxypyridinone,pyridinol, 1-oxide,2-pyridinol 1-oxide,1-hydroxy-2-pyridone,1-hydroxy-1,2-dihydropyridin-2-one PubChem CID: 69975 IUPAC Name: 1-hydroxypyridin-2-one SMILES: C1=CC(=O)N(C=C1)O
| PubChem CID | 69975 |
|---|---|
| CAS | 13161-30-3 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00006195 |
| SMILES | C1=CC(=O)N(C=C1)O |
| Synonym | 2-pyridinol-1-oxide,2-hydroxypyridine 1-oxide,2-hydroxypyridine n-oxide,1-hydroxypyridin-2 1h-one,2-hydroxypyridine-n-oxide,hydroxypyridinone,pyridinol, 1-oxide,2-pyridinol 1-oxide,1-hydroxy-2-pyridone,1-hydroxy-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-hydroxypyridin-2-one |
| InChI Key | SNUSZUYTMHKCPM-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) dichloride
CAS: 36309-88-3 Molecular Formula: C72H48Cl2N6Ru Molecular Weight (g/mol): 1169.188 MDL Number: MFCD03095387 InChI Key: SKZWFYFFTOHWQP-UHFFFAOYSA-L Synonym: bathophenanthroline ruthenium chloride,ru ddp,tris-bathophenanthroline ruthenium ii chloride,dichlororuthenium-4,7-diphenyl-1,10-phenanthroline 1/3,tris 4,7-diphenyl-1,10-phenanthroline ruthenium ii dichloride,tris 4,7-diphenyl-1,10-phenanthroline ; dichlororuthenium,tris 4,7-diphenyl-1,10-phenanthroline ruthenium ii dichloride complex,tris 4,7-diphenyl-1,10-phenanthroline ruthenium ii dichloride complex, for fluorescence PubChem CID: 15787787 IUPAC Name: dichlororuthenium;4,7-diphenyl-1,10-phenanthroline SMILES: C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.Cl[Ru]Cl
| PubChem CID | 15787787 |
|---|---|
| CAS | 36309-88-3 |
| Molecular Weight (g/mol) | 1169.188 |
| MDL Number | MFCD03095387 |
| SMILES | C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.Cl[Ru]Cl |
| Synonym | bathophenanthroline ruthenium chloride,ru ddp,tris-bathophenanthroline ruthenium ii chloride,dichlororuthenium-4,7-diphenyl-1,10-phenanthroline 1/3,tris 4,7-diphenyl-1,10-phenanthroline ruthenium ii dichloride,tris 4,7-diphenyl-1,10-phenanthroline ; dichlororuthenium,tris 4,7-diphenyl-1,10-phenanthroline ruthenium ii dichloride complex,tris 4,7-diphenyl-1,10-phenanthroline ruthenium ii dichloride complex, for fluorescence |
| IUPAC Name | dichlororuthenium;4,7-diphenyl-1,10-phenanthroline |
| InChI Key | SKZWFYFFTOHWQP-UHFFFAOYSA-L |
| Molecular Formula | C72H48Cl2N6Ru |
2-Vinylpyridine, 97%, stab. with 0.1% 4-tert-butylcatechol
CAS: 100-69-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006355 InChI Key: KGIGUEBEKRSTEW-UHFFFAOYSA-N Synonym: 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 PubChem CID: 7521 IUPAC Name: 2-ethenylpyridine SMILES: C=CC1=CC=CC=N1
| PubChem CID | 7521 |
|---|---|
| CAS | 100-69-6 |
| Molecular Weight (g/mol) | 105.14 |
| MDL Number | MFCD00006355 |
| SMILES | C=CC1=CC=CC=N1 |
| Synonym | 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 |
| IUPAC Name | 2-ethenylpyridine |
| InChI Key | KGIGUEBEKRSTEW-UHFFFAOYSA-N |
| Molecular Formula | C7H7N |
1,1'-Carbonyldiimidazole, 97%
CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1
| PubChem CID | 68263 |
|---|---|
| CAS | 530-62-1 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00005286 |
| SMILES | O=C(N1C=CN=C1)N1C=CN=C1 |
| Synonym | 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole |
| InChI Key | PFKFTWBEEFSNDU-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4O |
Thermo Scientific Chemicals Yohimbine hydrochloride, 99%
CAS: 65-19-0 Molecular Formula: C21H27ClN2O3 Molecular Weight (g/mol): 390.91 MDL Number: MFCD00012674 InChI Key: PIPZGJSEDRMUAW-VJDCAHTMSA-N Synonym: yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f PubChem CID: 6169 IUPAC Name: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride SMILES: [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
| PubChem CID | 6169 |
|---|---|
| CAS | 65-19-0 |
| Molecular Weight (g/mol) | 390.91 |
| MDL Number | MFCD00012674 |
| SMILES | [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12 |
| Synonym | yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f |
| IUPAC Name | methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride |
| InChI Key | PIPZGJSEDRMUAW-VJDCAHTMSA-N |
| Molecular Formula | C21H27ClN2O3 |
Pyridoxal hydrochloride, MP Biomedicals™
CAS: 65-22-5 Molecular Formula: C8H10ClNO3 Molecular Weight (g/mol): 203.622 InChI Key: FCHXJFJNDJXENQ-UHFFFAOYSA-N Synonym: pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride PubChem CID: 6171 IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride SMILES: CC1=NC=C(C(=C1O)C=O)CO.Cl
| PubChem CID | 6171 |
|---|---|
| CAS | 65-22-5 |
| Molecular Weight (g/mol) | 203.622 |
| SMILES | CC1=NC=C(C(=C1O)C=O)CO.Cl |
| Synonym | pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride |
| IUPAC Name | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride |
| InChI Key | FCHXJFJNDJXENQ-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO3 |
2-Furoic acid, 98%
CAS: 88-14-2 MDL Number: MFCD00003238 InChI Key: SMNDYUVBFMFKNZ-UHFFFAOYSA-N Synonym: 2-furoic acid,2-furancarboxylic acid,pyromucic acid,2-carboxyfuran,furoic acid,furancarboxylic acid,alpha-furoic acid,alpha-furancarboxylic acid,2-furanoic acid,kyselina 2-furoova PubChem CID: 6919 ChEBI: CHEBI:30845 IUPAC Name: furan-2-carboxylic acid SMILES: C1=COC(=C1)C(=O)O
| PubChem CID | 6919 |
|---|---|
| CAS | 88-14-2 |
| ChEBI | CHEBI:30845 |
| MDL Number | MFCD00003238 |
| SMILES | C1=COC(=C1)C(=O)O |
| Synonym | 2-furoic acid,2-furancarboxylic acid,pyromucic acid,2-carboxyfuran,furoic acid,furancarboxylic acid,alpha-furoic acid,alpha-furancarboxylic acid,2-furanoic acid,kyselina 2-furoova |
| IUPAC Name | furan-2-carboxylic acid |
| InChI Key | SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
Caffeine anhydrous, 99.7%, MP Biomedicals™
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |