Organic compounds
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N-Methylisobutylamine 98.0+%, TCI America™
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CAS: 625-43-4 Molecular Formula: C5H13N Molecular Weight (g/mol): 87.166 MDL Number: MFCD00015043 InChI Key: QKYWADPCTHTJHQ-UHFFFAOYSA-N Synonym: n-methylisobutylamine,1-propanamine, n,2-dimethyl,n,2-dimethylpropylamine,n-isobutylmethylamine,methyl 2-methylpropyl amine,isobutylmethylamine,methylisobutylamine,propylamine, n,2-dimethyl,n-isobutyl-n-methylamine,methyl-isobutyl-amin PubChem CID: 12249 IUPAC Name: N,2-dimethylpropan-1-amine SMILES: CC(C)CNC
| PubChem CID | 12249 |
|---|---|
| CAS | 625-43-4 |
| Molecular Weight (g/mol) | 87.166 |
| MDL Number | MFCD00015043 |
| SMILES | CC(C)CNC |
| Synonym | n-methylisobutylamine,1-propanamine, n,2-dimethyl,n,2-dimethylpropylamine,n-isobutylmethylamine,methyl 2-methylpropyl amine,isobutylmethylamine,methylisobutylamine,propylamine, n,2-dimethyl,n-isobutyl-n-methylamine,methyl-isobutyl-amin |
| IUPAC Name | N,2-dimethylpropan-1-amine |
| InChI Key | QKYWADPCTHTJHQ-UHFFFAOYSA-N |
| Molecular Formula | C5H13N |
N-(Trifluoromethylthio)phthalimide 98.0+%, TCI America™
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CAS: 719-98-2 Molecular Formula: C9H4F3NO2S Molecular Weight (g/mol): 247.191 InChI Key: CFNSRIIHFLPQCE-UHFFFAOYSA-N PubChem CID: 11334100 IUPAC Name: 2-(trifluoromethylsulfanyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F
| PubChem CID | 11334100 |
|---|---|
| CAS | 719-98-2 |
| Molecular Weight (g/mol) | 247.191 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F |
| IUPAC Name | 2-(trifluoromethylsulfanyl)isoindole-1,3-dione |
| InChI Key | CFNSRIIHFLPQCE-UHFFFAOYSA-N |
| Molecular Formula | C9H4F3NO2S |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-phenylalanine 98.0+%, TCI America™
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CAS: 77128-73-5 Molecular Formula: C25H23NO4 Molecular Weight (g/mol): 401.462 MDL Number: MFCD00151938 InChI Key: GBROUWPNYVBLFO-QHCPKHFHSA-N Synonym: fmoc-n-me-phe-oh,fmoc-n-methyl-l-phenylalanine,fmoc-mephe-oh,s-2-9h-fluoren-9-yl methoxy carbonyl methyl amino-3-phenylpropanoic acid,n-fmoc-n-methyl-l-phenylalanine,l-phenylalanine, n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,n-alpha-9-fluorenylmethyloxycarbonyl-n-alpha-methyl-l-phenylalanine,2s-2-9h-fluoren-9-ylmethoxy carbonyl methyl amino-3-phenylpropanoic acid,fmoc-l-mephe-oh,ambotzfaa1403 PubChem CID: 978356 IUPAC Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoic acid SMILES: CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
| PubChem CID | 978356 |
|---|---|
| CAS | 77128-73-5 |
| Molecular Weight (g/mol) | 401.462 |
| MDL Number | MFCD00151938 |
| SMILES | CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Synonym | fmoc-n-me-phe-oh,fmoc-n-methyl-l-phenylalanine,fmoc-mephe-oh,s-2-9h-fluoren-9-yl methoxy carbonyl methyl amino-3-phenylpropanoic acid,n-fmoc-n-methyl-l-phenylalanine,l-phenylalanine, n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,n-alpha-9-fluorenylmethyloxycarbonyl-n-alpha-methyl-l-phenylalanine,2s-2-9h-fluoren-9-ylmethoxy carbonyl methyl amino-3-phenylpropanoic acid,fmoc-l-mephe-oh,ambotzfaa1403 |
| IUPAC Name | (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoic acid |
| InChI Key | GBROUWPNYVBLFO-QHCPKHFHSA-N |
| Molecular Formula | C25H23NO4 |
1-Phenylcyclopentanecarbonitrile 98.0+%, TCI America™
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CAS: 77-57-6 Molecular Formula: C12H13N Molecular Weight (g/mol): 171.243 MDL Number: MFCD00001358 InChI Key: GDXMFFGTPGAGGX-UHFFFAOYSA-N Synonym: 1-phenylcyclopentanecarbonitrile,1-phenyl-1-cyclopentanecarbonitrile,1-phenyl-cyclopentanecarbonitrile,cyclopentanecarbonitrile, 1-phenyl,1-phenylcyclopentanenitrile,phenylcyclopentane carbonitrile,gdxmffgtpgaggx-uhfffaoysa PubChem CID: 66168 IUPAC Name: 1-phenylcyclopentane-1-carbonitrile SMILES: C1CCC(C1)(C#N)C2=CC=CC=C2
| PubChem CID | 66168 |
|---|---|
| CAS | 77-57-6 |
| Molecular Weight (g/mol) | 171.243 |
| MDL Number | MFCD00001358 |
| SMILES | C1CCC(C1)(C#N)C2=CC=CC=C2 |
| Synonym | 1-phenylcyclopentanecarbonitrile,1-phenyl-1-cyclopentanecarbonitrile,1-phenyl-cyclopentanecarbonitrile,cyclopentanecarbonitrile, 1-phenyl,1-phenylcyclopentanenitrile,phenylcyclopentane carbonitrile,gdxmffgtpgaggx-uhfffaoysa |
| IUPAC Name | 1-phenylcyclopentane-1-carbonitrile |
| InChI Key | GDXMFFGTPGAGGX-UHFFFAOYSA-N |
| Molecular Formula | C12H13N |
Monoethyl 5-Nitroisophthalate 98.0+%, TCI America™
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CAS: 22871-55-2 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00130051 InChI Key: HOYHBDFTELAGGG-UHFFFAOYSA-N Synonym: 5-Nitroisophthalic Acid Monoethyl Ester PubChem CID: 89872 IUPAC Name: 3-ethoxycarbonyl-5-nitrobenzoic acid SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 89872 |
|---|---|
| CAS | 22871-55-2 |
| Molecular Weight (g/mol) | 239.183 |
| MDL Number | MFCD00130051 |
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 5-Nitroisophthalic Acid Monoethyl Ester |
| IUPAC Name | 3-ethoxycarbonyl-5-nitrobenzoic acid |
| InChI Key | HOYHBDFTELAGGG-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
1-Methylguanidine Hydrochloride 98.0+%, TCI America™
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CAS: 21770-81-0 Molecular Formula: C2H8ClN3 Molecular Weight (g/mol): 109.557 MDL Number: MFCD00012576 InChI Key: VJQCNCOGZPSOQZ-UHFFFAOYSA-N PubChem CID: 146724 IUPAC Name: 2-methylguanidine;hydrochloride SMILES: CN=C(N)N.Cl
| PubChem CID | 146724 |
|---|---|
| CAS | 21770-81-0 |
| Molecular Weight (g/mol) | 109.557 |
| MDL Number | MFCD00012576 |
| SMILES | CN=C(N)N.Cl |
| IUPAC Name | 2-methylguanidine;hydrochloride |
| InChI Key | VJQCNCOGZPSOQZ-UHFFFAOYSA-N |
| Molecular Formula | C2H8ClN3 |
Bupropion Hydrochloride 98.0+%, TCI America™
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CAS: 31677-93-7 Molecular Formula: C13H19Cl2NO Molecular Weight (g/mol): 276.201 MDL Number: MFCD00055209 InChI Key: HEYVINCGKDONRU-UHFFFAOYSA-N Synonym: bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl PubChem CID: 62884 IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl
| PubChem CID | 62884 |
|---|---|
| CAS | 31677-93-7 |
| Molecular Weight (g/mol) | 276.201 |
| MDL Number | MFCD00055209 |
| SMILES | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl |
| Synonym | bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl |
| IUPAC Name | 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride |
| InChI Key | HEYVINCGKDONRU-UHFFFAOYSA-N |
| Molecular Formula | C13H19Cl2NO |
Tributyl Orthoformate 95.0+%, TCI America™
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CAS: 588-43-2 Molecular Formula: C13H28O3 Molecular Weight (g/mol): 232.364 MDL Number: MFCD00015250 InChI Key: SGJBIFUEFLWXJY-UHFFFAOYSA-N Synonym: tributyl orthoformate,1-dibutoxymethoxy butane,tri-n-butyl orthoformate,tributoxymethane,orthoformic acid butyl ester,orthoformic acid tributyl ester,orthoformic acid, tributyl ester,butane, 1,1',1-methylidynetris oxy tris,1,1',1-methylidynetris oxy tributane PubChem CID: 68521 IUPAC Name: 1-(dibutoxymethoxy)butane SMILES: CCCCOC(OCCCC)OCCCC
| PubChem CID | 68521 |
|---|---|
| CAS | 588-43-2 |
| Molecular Weight (g/mol) | 232.364 |
| MDL Number | MFCD00015250 |
| SMILES | CCCCOC(OCCCC)OCCCC |
| Synonym | tributyl orthoformate,1-dibutoxymethoxy butane,tri-n-butyl orthoformate,tributoxymethane,orthoformic acid butyl ester,orthoformic acid tributyl ester,orthoformic acid, tributyl ester,butane, 1,1',1-methylidynetris oxy tris,1,1',1-methylidynetris oxy tributane |
| IUPAC Name | 1-(dibutoxymethoxy)butane |
| InChI Key | SGJBIFUEFLWXJY-UHFFFAOYSA-N |
| Molecular Formula | C13H28O3 |
2,3,5,6-Tetrafluoro-1,4-phenylenediamine 98.0+%, TCI America™
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CAS: 1198-64-7 Molecular Formula: C6H4F4N2 Molecular Weight (g/mol): 180.11 MDL Number: MFCD00039767 InChI Key: FVFYRXJKYAVFSB-UHFFFAOYSA-N Synonym: 1,4-Diamino-2,3,5,6-tetrafluorobenzene PubChem CID: 70979 IUPAC Name: tetrafluorobenzene-1,4-diamine SMILES: NC1=C(F)C(F)=C(N)C(F)=C1F
| PubChem CID | 70979 |
|---|---|
| CAS | 1198-64-7 |
| Molecular Weight (g/mol) | 180.11 |
| MDL Number | MFCD00039767 |
| SMILES | NC1=C(F)C(F)=C(N)C(F)=C1F |
| Synonym | 1,4-Diamino-2,3,5,6-tetrafluorobenzene |
| IUPAC Name | tetrafluorobenzene-1,4-diamine |
| InChI Key | FVFYRXJKYAVFSB-UHFFFAOYSA-N |
| Molecular Formula | C6H4F4N2 |
Di-1-adamantylphosphine 95.0+%, TCI America™
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CAS: 131211-27-3 Molecular Formula: C20H31P Molecular Weight (g/mol): 302.44 MDL Number: MFCD06658117 InChI Key: RRRZOLBZYZWQBZ-UHFFFAOYSA-N PubChem CID: 11077518 IUPAC Name: bis(adamantan-1-yl)phosphane SMILES: C1C2CC3CC1CC(C2)(C3)PC12CC3CC(CC(C3)C1)C2
| PubChem CID | 11077518 |
|---|---|
| CAS | 131211-27-3 |
| Molecular Weight (g/mol) | 302.44 |
| MDL Number | MFCD06658117 |
| SMILES | C1C2CC3CC1CC(C2)(C3)PC12CC3CC(CC(C3)C1)C2 |
| IUPAC Name | bis(adamantan-1-yl)phosphane |
| InChI Key | RRRZOLBZYZWQBZ-UHFFFAOYSA-N |
| Molecular Formula | C20H31P |
Methyl 6-Chloronicotinate 98.0+%, TCI America™
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CAS: 73781-91-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00023420 InChI Key: RMEDXVIWDFLGES-UHFFFAOYSA-N Synonym: methyl 6-chloronicotinate,6-chloronicotinic acid methyl ester,methyl6-chloronicotinate,methyl 2-chloropyridine-5-carboxylate,3-pyridinecarboxylic acid, 6-chloro-, methyl ester,methyl 6-chloro-3-pyridinecarboxylate,6-chloro-3-pyridinecarboxylic acid methyl ester,pubchem13584,methyl-6-chloronicotinate,methyl 6-chloro-nicotinate PubChem CID: 254249 IUPAC Name: methyl 6-chloropyridine-3-carboxylate SMILES: COC(=O)C1=CN=C(C=C1)Cl
| PubChem CID | 254249 |
|---|---|
| CAS | 73781-91-6 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00023420 |
| SMILES | COC(=O)C1=CN=C(C=C1)Cl |
| Synonym | methyl 6-chloronicotinate,6-chloronicotinic acid methyl ester,methyl6-chloronicotinate,methyl 2-chloropyridine-5-carboxylate,3-pyridinecarboxylic acid, 6-chloro-, methyl ester,methyl 6-chloro-3-pyridinecarboxylate,6-chloro-3-pyridinecarboxylic acid methyl ester,pubchem13584,methyl-6-chloronicotinate,methyl 6-chloro-nicotinate |
| IUPAC Name | methyl 6-chloropyridine-3-carboxylate |
| InChI Key | RMEDXVIWDFLGES-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Triisopropylsilyl Trifluoromethanesulfonate 98.0+%, TCI America™
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CAS: 80522-42-5 Molecular Formula: C10H21F3O3SSi Molecular Weight (g/mol): 306.415 MDL Number: MFCD00009913 InChI Key: LHJCZOXMCGQVDQ-UHFFFAOYSA-N Synonym: triisopropylsilyl trifluoromethanesulfonate,triisopropylsilyl triflate,triisopropylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triisopropylsilyl ester,tips-otf,tips triflate,wacker silane ip3-triflate,triisopropylsilyl trifluoromethanesulphonate,triisopropylsilyl-trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, tris 1-methylethyl silyl ester PubChem CID: 2724529 IUPAC Name: tri(propan-2-yl)silyl trifluoromethanesulfonate SMILES: CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2724529 |
|---|---|
| CAS | 80522-42-5 |
| Molecular Weight (g/mol) | 306.415 |
| MDL Number | MFCD00009913 |
| SMILES | CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F |
| Synonym | triisopropylsilyl trifluoromethanesulfonate,triisopropylsilyl triflate,triisopropylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triisopropylsilyl ester,tips-otf,tips triflate,wacker silane ip3-triflate,triisopropylsilyl trifluoromethanesulphonate,triisopropylsilyl-trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, tris 1-methylethyl silyl ester |
| IUPAC Name | tri(propan-2-yl)silyl trifluoromethanesulfonate |
| InChI Key | LHJCZOXMCGQVDQ-UHFFFAOYSA-N |
| Molecular Formula | C10H21F3O3SSi |
2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 98.0+%, TCI America™
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CAS: 833486-94-5 Molecular Formula: C12H17BN2O4 Molecular Weight (g/mol): 264.09 MDL Number: MFCD06795680 InChI Key: QOYJKGGBFKVKDP-UHFFFAOYSA-N Synonym: 2-(4-Amino-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Amino-3-nitrophenylboronic Acid Pinacol Ester PubChem CID: 16217914 IUPAC Name: 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(N)C(=C1)[N+]([O-])=O
| PubChem CID | 16217914 |
|---|---|
| CAS | 833486-94-5 |
| Molecular Weight (g/mol) | 264.09 |
| MDL Number | MFCD06795680 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(N)C(=C1)[N+]([O-])=O |
| Synonym | 2-(4-Amino-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Amino-3-nitrophenylboronic Acid Pinacol Ester |
| IUPAC Name | 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | QOYJKGGBFKVKDP-UHFFFAOYSA-N |
| Molecular Formula | C12H17BN2O4 |
2-Fluorotoluene 99.0+%, TCI America™
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CAS: 95-52-3 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000322 InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N Synonym: 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h PubChem CID: 7241 IUPAC Name: 1-fluoro-2-methylbenzene SMILES: CC1=CC=CC=C1F
| PubChem CID | 7241 |
|---|---|
| CAS | 95-52-3 |
| Molecular Weight (g/mol) | 110.131 |
| MDL Number | MFCD00000322 |
| SMILES | CC1=CC=CC=C1F |
| Synonym | 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h |
| IUPAC Name | 1-fluoro-2-methylbenzene |
| InChI Key | MMZYCBHLNZVROM-UHFFFAOYSA-N |
| Molecular Formula | C7H7F |
N4-Benzoylcytosine 97.0+%, TCI America™
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CAS: 26661-13-2 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD00239434 InChI Key: XBDUZBHKKUFFRH-UHFFFAOYSA-N Synonym: n4-benzoylcytosine,n-2-oxo-1,2-dihydropyrimidin-4-yl benzamide,n-benzoylcytosine,n-4-benzoyl cytosine,benzamide, n-1,2-dihydro-2-oxo-4-pyrimidinyl,n-2-oxo-1h-pyrimidin-6-yl benzamide,benzamide, n-2,3-dihydro-2-oxo-4-pyrimidinyl,n-2-oxohydropyrimidin-4-yl benzamide,n-2-oxo-1h-pyrimidin-4-yl benzamide,n-benzoyl cytosine PubChem CID: 309343 IUPAC Name: N-(2-oxo-2,3-dihydropyrimidin-4-yl)benzamide SMILES: O=C(NC1=CC=NC(=O)N1)C1=CC=CC=C1
| PubChem CID | 309343 |
|---|---|
| CAS | 26661-13-2 |
| Molecular Weight (g/mol) | 215.21 |
| MDL Number | MFCD00239434 |
| SMILES | O=C(NC1=CC=NC(=O)N1)C1=CC=CC=C1 |
| Synonym | n4-benzoylcytosine,n-2-oxo-1,2-dihydropyrimidin-4-yl benzamide,n-benzoylcytosine,n-4-benzoyl cytosine,benzamide, n-1,2-dihydro-2-oxo-4-pyrimidinyl,n-2-oxo-1h-pyrimidin-6-yl benzamide,benzamide, n-2,3-dihydro-2-oxo-4-pyrimidinyl,n-2-oxohydropyrimidin-4-yl benzamide,n-2-oxo-1h-pyrimidin-4-yl benzamide,n-benzoyl cytosine |
| IUPAC Name | N-(2-oxo-2,3-dihydropyrimidin-4-yl)benzamide |
| InChI Key | XBDUZBHKKUFFRH-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3O2 |