Wednesday, March 27, 2013

All Chemical Compounds Information



Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H30N3O4+
MOLECULAR WEIGHT: 376.4699
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H29N3O4
MOLECULAR WEIGHT: 375.46196
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@@H](C)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-[(1S,2R)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-[(1S,2R)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-[(1S,2R)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-[(1S,2R)-2-methylcyclohexyl]-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C21H24N4OS2
MOLECULAR WEIGHT: 412.57146
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4
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Product OPENEYE NAME: 3-[2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]oxazolidin-2-one
CAS Name: 3-[2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-oxazolidinone
IUPAC NAME: 3-[2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C21H19N3O4S
MOLECULAR WEIGHT: 409.45826
SMILES: CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCOC4=O)C
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Product OPENEYE NAME: methyl 1-[(1S)-1-methyl-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H30N3O4+
MOLECULAR WEIGHT: 376.4699
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1S)-1-methyl-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H29N3O4
MOLECULAR WEIGHT: 375.46196
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-[(1R,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-[(1R,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-[(1R,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C21H24N4OS2
MOLECULAR WEIGHT: 412.57146
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H27N2O3S+
MOLECULAR WEIGHT: 363.49428
SMILES: C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H26N2O3S
MOLECULAR WEIGHT: 362.48634
SMILES: C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3CCC(CC3)C(=O)OC
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