Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(Z)-(1-benzyl-2-oxo-indolin-3-ylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[(Z)-[2-oxo-1-(phenylmethyl)-3-indolylidene]amino]thiourea
IUPAC NAME: 1-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SYSTEMATIC NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]thiourea
MOLECULAR FORMULA: C22H26N5O2S+
MOLECULAR WEIGHT: 424.53914
SMILES: C1COCC[NH+]1CCNC(=S)N/N=C\2/C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4
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Product OPENEYE NAME: 1-[(Z)-(1-benzyl-2-oxo-indolin-3-ylidene)amino]-3-(2-morpholinoethyl)thiourea
CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-[(Z)-[2-oxo-1-(phenylmethyl)-3-indolylidene]amino]thiourea
IUPAC NAME: 1-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea
SYSTEMATIC NAME: 1-(2-morpholin-4-ylethyl)-3-[(Z)-[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]thiourea
MOLECULAR FORMULA: C22H25N5O2S
MOLECULAR WEIGHT: 423.5312
SMILES: C1COCCN1CCNC(=S)N/N=C\2/C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4
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Product OPENEYE NAME: [2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H21NO5
MOLECULAR WEIGHT: 391.41654
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H]3CCCC4=CC=CC=C34
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Product OPENEYE NAME: [(1R)-2-(2,6-dichloroanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2,6-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15Cl2NO4
MOLECULAR WEIGHT: 332.1792
SMILES: C[C@H](C(=O)NC1=C(C=CC=C1Cl)Cl)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-[[(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C18H23N3O5
MOLECULAR WEIGHT: 361.39232
SMILES: CCNC(=O)[C@@H](C)NC(=O)COC(=O)C1=CC(=CC=C1)N2CCCC2=O
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Product OPENEYE NAME: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium
CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium
IUPAC NAME: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
SYSTEMATIC NAME: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium
MOLECULAR FORMULA: C21H28N3O2+
MOLECULAR WEIGHT: 354.46592
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCCCC2=CC=CC=C2
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Product OPENEYE NAME: 2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-N-(3-phenylpropyl)acetamide
CAS Name: 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
IUPAC NAME: 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
SYSTEMATIC NAME: 2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-N-(3-phenylpropyl)ethanamide
MOLECULAR FORMULA: C21H27N3O2
MOLECULAR WEIGHT: 353.45798
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NCCCC2=CC=CC=C2
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Product OPENEYE NAME: [(1S)-2-(2,6-dichloroanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2,6-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15Cl2NO4
MOLECULAR WEIGHT: 332.1792
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1Cl)Cl)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO7
MOLECULAR WEIGHT: 411.40464
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC
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