Saturday, December 3, 2011

All Chemical Compounds Information



Product OPENEYE NAME: methyl (2S)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanyl-butanoate
CAS Name: (2S)-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanylbutanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C26H31N3O6S
MOLECULAR WEIGHT: 513.60584
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@H](N2)C(=O)N[C@@H](CCSC)C(=O)OC)C4=CC=CC=C4N3
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Product OPENEYE NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methyl-pentanoate
CAS Name: (2R)-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylpentanoate
SYSTEMATIC NAME: methyl (2R)-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-methyl-pentanoate
MOLECULAR FORMULA: C27H33N3O6
MOLECULAR WEIGHT: 495.56742
SMILES: CC(C)C[C@H](C(=O)OC)NC(=O)[C@@H]1CC2=C([C@H](N1)C3=CC(=C(C(=C3)OC)O)OC)NC4=CC=CC=C24
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Product OPENEYE NAME: sodium (2S)-3,3-dimethyl-6-[2-(2-naphthyl)ethylcarbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-3,3-dimethyl-6-[[[2-(2-naphthalenyl)ethylamino]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-3,3-dimethyl-6-(2-naphthalen-2-ylethylcarbamoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-3,3-dimethyl-6-(2-naphthalen-2-ylethylcarbamoylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C21H22N3NaO4S
MOLECULAR WEIGHT: 435.47185
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)NCCC3=CC4=CC=CC=C4C=C3)C(=O)[O-])C.[Na+]
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Product OPENEYE NAME: (2S)-3,3-dimethyl-6-[2-(2-naphthyl)ethylcarbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S)-3,3-dimethyl-6-[[[2-(2-naphthalenyl)ethylamino]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S)-3,3-dimethyl-6-(2-naphthalen-2-ylethylcarbamoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-3,3-dimethyl-6-(2-naphthalen-2-ylethylcarbamoylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)NCCC3=CC4=CC=CC=C4C=C3)C(=O)O)C
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Product OPENEYE NAME: 5-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(4-methoxyphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C17H23N3OS
MOLECULAR WEIGHT: 317.44902
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(3-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(3-methoxyphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(3-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(3-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C17H23N3OS
MOLECULAR WEIGHT: 317.44902
SMILES: CC1=NSC(=C1)C(C2=CC(=CC=C2)OC)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(2-methoxyphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C17H23N3OS
MOLECULAR WEIGHT: 317.44902
SMILES: CC1=NSC(=C1)C(C2=CC=CC=C2OC)N3CCN(CC3)C
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Product OPENEYE NAME: 4-amino-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 4-amino-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 4-amino-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 4-azanyl-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C22H22N6O
MOLECULAR WEIGHT: 386.44968
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)N
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Product OPENEYE NAME: 4-methylsulfonyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 4-methylsulfonyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 4-methylsulfonyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 4-methylsulfonyl-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C23H23N5O3S
MOLECULAR WEIGHT: 449.52542
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)S(=O)(=O)C
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