Friday, December 14, 2012

http://ChemLookup.com Compounds




CAS RN: 143797-63-1
CAS Name: 1-(1-methyl-5-indolyl)-3-(3-pyridinyl)urea
OPENEYE Name: 1-(1-methylindol-5-yl)-3-(3-pyridyl)urea
IUPAC Name: 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea
SYSTEMATIC NAME: 1-(1-methylindol-5-yl)-3-pyridin-3-yl-urea
MOLECULAR FORMULA: C15H14N4O
MOLECULAR WEIGHT: 266.29786
SMILES: CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3
Structure:

CAS RN: 145986-11-4
CAS Name: 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H9FN2O4S
MOLECULAR WEIGHT: 248.231463
SMILES: C1[C@H](O[C@H](S1)CO)N2C=C(C(=O)NC2=O)F
Structure:

CAS RN: 143790-05-0
CAS Name: 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H9FN2O4S
MOLECULAR WEIGHT: 248.231463
SMILES: C1[C@H](O[C@H](S1)CO)N2C=C(C(=O)NC2=O)F
Structure:

CAS RN: 143785-44-8
CAS Name: 2,4-dihydroxy-3,3,4-trimethyl-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: 2,4-dihydroxy-3,3,4-trimethyl-5-oxo-pyrrolidine-2-carboxylic acid
IUPAC Name: 2,4-dihydroxy-3,3,4-trimethyl-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 3,3,4-trimethyl-2,4-bis(oxidanyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C8H13NO5
MOLECULAR WEIGHT: 203.19252
SMILES: CC1(C(C(=O)NC1(C(=O)O)O)(C)O)C
Structure:

CAS RN: 143773-87-9
CAS Name: 2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)thio]propanoic acid
OPENEYE Name: 2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid
IUPAC Name: 2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-[(1-oxidanylidene-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid
MOLECULAR FORMULA: C9H13NO4S2
MOLECULAR WEIGHT: 263.33382
SMILES: CC(=O)NC(CSC1C=CCS1=O)C(=O)O
Structure:

CAS RN: 143756-51-8
CAS Name: (7R)-7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydroisothiazolo[4,5-c]pyridine
OPENEYE Name: (7R)-7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydroisothiazolo[4,5-c]pyridine
IUPAC Name: (7R)-7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SYSTEMATIC NAME: (7R)-7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: C[C@@H]1CNCC2=C1SN=C2OCC#C
Structure:

CAS RN: 143745-81-7
CAS Name: 2-[[(6-ethyl-5-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[(6-ethyl-5-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[(6-ethyl-5-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[(6-ethyl-5-methyl-2-oxidanylidene-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: CCC1=C(C=C(C(=O)N1)NCN2C(=O)C3=CC=CC=C3C2=O)C
Structure:

CAS RN: 143728-97-6
CAS Name: N-[1-[[3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
OPENEYE Name: N-[1-benzyl-2-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-2-oxo-ethyl]-1H-pyrrole-2-carboxamide
IUPAC Name: N-[1-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: N-[1-[[3,6-bis[3,5-bis(oxidanyl)phenyl]-9,16-dimethyl-2,5,8,11,14-pentakis(oxidanylidene)-12-(phenylmethyl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C46H47N7O12
MOLECULAR WEIGHT: 889.90508
SMILES: CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C2=CC(=CC(=C2)O)O)C3=CC(=CC(=C3)O)O)C)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=CC=CN6
Structure:

CAS RN: 146925-27-1
CAS Name: N-[1-[[3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
OPENEYE Name: N-[1-benzyl-2-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-2-oxo-ethyl]-1H-pyrrole-2-carboxamide
IUPAC Name: N-[1-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: N-[1-[[3,6-bis[3,5-bis(oxidanyl)phenyl]-9,16-dimethyl-2,5,8,11,14-pentakis(oxidanylidene)-12-(phenylmethyl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C46H47N7O12
MOLECULAR WEIGHT: 889.90508
SMILES: CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C2=CC(=CC(=C2)O)O)C3=CC(=CC(=C3)O)O)C)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=CC=CN6
Structure:

CAS RN: 143705-67-3
CAS Name: 1-[(4aS,5S,6S,8aS)-6-hydroxy-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]-1-dodecanone
OPENEYE Name: 1-[(4aS,5S,6S,8aS)-6-hydroxy-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]dodecan-1-one
IUPAC Name: 1-[(4aS,5S,6S,8aS)-6-hydroxy-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]dodecan-1-one
SYSTEMATIC NAME: 1-[(4aS,5S,6S,8aS)-5,8a-dimethyl-6-oxidanyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]dodecan-1-one
MOLECULAR FORMULA: C23H43NO2
MOLECULAR WEIGHT: 365.59302
SMILES: CCCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]([C@H](CC[C@@]2(C1)C)O)C
Structure:

CAS RN: 143693-57-6
CAS Name: 5-(2-fluoranylethyl)-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(2-fluoranylethyl)-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
IUPAC Name: ethyl 5-(2-fluoranylethyl)-8-fluoro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SYSTEMATIC NAME: ethyl 8-fluoranyl-5-(2-fluoranylethyl)-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
MOLECULAR FORMULA: C16H15F2N3O3
MOLECULAR WEIGHT: 334.307941
SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)CC[18F]
Structure:

CAS RN: 143692-48-2
CAS Name: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
OPENEYE Name: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
IUPAC Name: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
SYSTEMATIC NAME: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
MOLECULAR FORMULA: C19H21ClN4O3
MOLECULAR WEIGHT: 388.84804
SMILES: CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3.Cl
Structure:

CAS RN: 146908-67-0
CAS Name: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
OPENEYE Name: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
IUPAC Name: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
SYSTEMATIC NAME: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide hydrochloride
MOLECULAR FORMULA: C19H21ClN4O3
MOLECULAR WEIGHT: 388.84804
SMILES: CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3.Cl
Structure:

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