Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
CAS Name: 1-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-2-imidazolidinone
IUPAC NAME: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]imidazolidin-2-one
MOLECULAR FORMULA: C17H25N4O4S+
MOLECULAR WEIGHT: 381.4698
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCNC3=O)C
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Product OPENEYE NAME: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
CAS Name: 1-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]-2-imidazolidinone
IUPAC NAME: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]imidazolidin-2-one
MOLECULAR FORMULA: C17H24N4O4S
MOLECULAR WEIGHT: 380.46186
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCNC3=O)C
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Product OPENEYE NAME: N-[(1R)-1,2-dimethylpropyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(2R)-3-methylbutan-2-yl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(2R)-3-methylbutan-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(2R)-3-methylbutan-2-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H23N3OS
MOLECULAR WEIGHT: 329.45972
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@H](C)C(C)C
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Product OPENEYE NAME: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18ClNO5
MOLECULAR WEIGHT: 399.82432
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H](C)C3=CC=CC=C3Cl
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-1-(4-benzyl-1-piperidyl)propan-1-one
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-1-(4-benzylpiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one
MOLECULAR FORMULA: C24H29NO4
MOLECULAR WEIGHT: 395.49136
SMILES: C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)C(=O)C)OC
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C15H14F3N3OS
MOLECULAR WEIGHT: 341.35137
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC(F)(F)F
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Product OPENEYE NAME: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile
CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile
IUPAC NAME: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H24N3O2S+
MOLECULAR WEIGHT: 370.48846
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N)C
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Product OPENEYE NAME: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile
IUPAC NAME: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H23N3O2S
MOLECULAR WEIGHT: 369.48052
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N)C
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Product OPENEYE NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methylallyl)thiourea
CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-[2-(1-adamantyl)ethanoylamino]-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C17H27N3OS
MOLECULAR WEIGHT: 321.48078
SMILES: CC(=C)CNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]ethanamide
MOLECULAR FORMULA: C20H28N3O3S2+
MOLECULAR WEIGHT: 422.58462
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@@H](C)C3=CC=CS3)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]ethanamide
MOLECULAR FORMULA: C20H27N3O3S2
MOLECULAR WEIGHT: 421.57668
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N[C@@H](C)C3=CC=CS3)C
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Product OPENEYE NAME: N-(3-chloro-4-cyano-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(3-chloro-4-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3-chloranyl-4-cyano-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H15ClN4OS
MOLECULAR WEIGHT: 394.8773
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl
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Product OPENEYE NAME: 4-[(2S)-2-(4-acetyl-2-methoxy-phenoxy)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CAS Name: 4-[(2S)-2-(4-acetyl-2-methoxyphenoxy)-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one
IUPAC NAME: 4-[(2S)-2-(4-acetyl-2-methoxyphenoxy)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
SYSTEMATIC NAME: 4-[(2S)-2-(4-ethanoyl-2-methoxy-phenoxy)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC3=C(C=C(C=C3)C(=O)C)OC
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Product OPENEYE NAME: [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18ClNO5
MOLECULAR WEIGHT: 399.82432
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H](C)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide
MOLECULAR FORMULA: C20H28N3O3S2+
MOLECULAR WEIGHT: 422.58462
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=CS3)C
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