Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(cyclopentylcarbamoyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[(cyclopentylamino)-oxomethyl]propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(cyclopentylcarbamoyl)propanamide
SYSTEMATIC NAME: (2S)-N-(cyclopentylcarbamoyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCC1)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: N-benzyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=CC=C3)C
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Product OPENEYE NAME: N-benzyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-methyl-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC=CC=C3)C
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Product OPENEYE NAME: [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[[[(1S,2R)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H24N2O6
MOLECULAR WEIGHT: 400.42506
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H20N4O2S
MOLECULAR WEIGHT: 344.4313
SMILES: CCCNC(=O)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium
CAS Name: 2-[[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium
IUPAC NAME: 2-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]ethyl-dimethylazanium
SYSTEMATIC NAME: 2-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium
MOLECULAR FORMULA: C17H31N4OS+
MOLECULAR WEIGHT: 339.51924
SMILES: C[NH+](C)CCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2
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Product OPENEYE NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
IUPAC NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
SYSTEMATIC NAME: 1-[2-(1-adamantyl)ethanoylamino]-3-[2-(dimethylamino)ethyl]thiourea
MOLECULAR FORMULA: C17H30N4OS
MOLECULAR WEIGHT: 338.5113
SMILES: CN(C)CCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2
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Product OPENEYE NAME: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
MOLECULAR FORMULA: C15H22N3O2S+
MOLECULAR WEIGHT: 308.41908
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N)C
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Product OPENEYE NAME: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]propanenitrile
IUPAC NAME: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C15H21N3O2S
MOLECULAR WEIGHT: 307.41114
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#N)C
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(cyclopentylcarbamoyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(cyclopentylamino)-oxomethyl]propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(cyclopentylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-N-(cyclopentylcarbamoyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: C[C@H](C(=O)NC(=O)NC1CCCC1)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CAS Name: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C)C
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Product OPENEYE NAME: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CAS Name: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C)C
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Product OPENEYE NAME: (2S)-1-indolin-1-yl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
CAS Name: (2S)-1-(2,3-dihydroindol-1-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone
IUPAC NAME: (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one
SYSTEMATIC NAME: (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
MOLECULAR FORMULA: C22H21N3OS
MOLECULAR WEIGHT: 375.48664
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N3CCC4=CC=CC=C43
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Product OPENEYE NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-furylmethyl)thiourea
CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(2-furanylmethyl)thiourea
IUPAC NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-(furan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 1-[2-(1-adamantyl)ethanoylamino]-3-(furan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C18H25N3O2S
MOLECULAR WEIGHT: 347.475
SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NCC4=CC=CO4
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C21H28N3O4S+
MOLECULAR WEIGHT: 418.52972
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)OC)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(3-methoxyphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C21H27N3O4S
MOLECULAR WEIGHT: 417.52178
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)OC)C
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Product OPENEYE NAME: (2R)-1-indolin-1-yl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
CAS Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone
IUPAC NAME: (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one
SYSTEMATIC NAME: (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
MOLECULAR FORMULA: C22H21N3OS
MOLECULAR WEIGHT: 375.48664
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N3CCC4=CC=CC=C43
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Product OPENEYE NAME: [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[[[(1R,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H24N2O6
MOLECULAR WEIGHT: 400.42506
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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