Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C21H27N2O3+
MOLECULAR WEIGHT: 355.45068
SMILES: C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate
CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
MOLECULAR FORMULA: C21H25NO4S
MOLECULAR WEIGHT: 387.4925
SMILES: CC1=CC=C(C=C1)SCCC(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C
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Product OPENEYE NAME: dimethyl-[2-[(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]ethyl]ammonium
CAS Name: dimethyl-[2-[[[(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)amino]-sulfanylidenemethyl]amino]ethyl]ammonium
IUPAC NAME: dimethyl-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]ethyl]azanium
SYSTEMATIC NAME: dimethyl-[2-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]ethyl]azanium
MOLECULAR FORMULA: C18H22N5OS2+
MOLECULAR WEIGHT: 388.53018
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC[NH+](C)C)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[2-(dimethylamino)ethyl]-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-[2-(dimethylamino)ethyl]-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-[2-(dimethylamino)ethyl]-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethyl]-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C18H21N5OS2
MOLECULAR WEIGHT: 387.52224
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCCN(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C21H27N2O3+
MOLECULAR WEIGHT: 355.45068
SMILES: C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: 1-(2-furylmethyl)-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C19H16N4O2S2
MOLECULAR WEIGHT: 396.48594
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC3=CC=CO3)C4=CC=CC=C4
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Product OPENEYE NAME: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16N2O7
MOLECULAR WEIGHT: 384.33954
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H30N3O4+
MOLECULAR WEIGHT: 352.4485
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)NCCC2=CCCCC2
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