Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[methyl-[2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl]amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C22H29N3O2
MOLECULAR WEIGHT: 367.48456
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: ethyl 2-(cyclopropylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(cyclopropylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(cyclopropylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C14H18N2O2S2
MOLECULAR WEIGHT: 310.43492
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3CC3
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Product OPENEYE NAME: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]ammonium
CAS Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C22H30N3O2+
MOLECULAR WEIGHT: 368.4925
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: 2-[methyl-[2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C22H29N3O2
MOLECULAR WEIGHT: 367.48456
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C19H20N2O4S2
MOLECULAR WEIGHT: 404.5031
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)[C@H]2CCCO2)C
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Product OPENEYE NAME: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CCC[C@H](C)NC(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
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Product OPENEYE NAME: [2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C16H19N3O5
MOLECULAR WEIGHT: 333.33916
SMILES: CNC(=O)CNC(=O)COC(=O)C1=CC(=CC=C1)N2CCCC2=O
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Product OPENEYE NAME: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C19H22N2O3S2
MOLECULAR WEIGHT: 390.51958
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: [(1R)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H21NO5
MOLECULAR WEIGHT: 307.34164
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C19H23N4O5+
MOLECULAR WEIGHT: 387.40972
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC
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Product OPENEYE NAME: 2-[[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C19H22N4O5
MOLECULAR WEIGHT: 386.40178
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC
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