Tuesday, February 26, 2013

All Chemical Compounds Information



Product OPENEYE NAME: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole
CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyloxazole
IUPAC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C22H26N3O3S+
MOLECULAR WEIGHT: 412.52514
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4)C
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Product OPENEYE NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-oxazole
CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-5-phenyloxazole
IUPAC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4)C
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Product OPENEYE NAME: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H21N3O3S
MOLECULAR WEIGHT: 407.48544
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 1-methyl-3-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]thiourea
CAS Name: 1-methyl-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]thiourea
MOLECULAR FORMULA: C12H18N4O3S2
MOLECULAR WEIGHT: 330.42632
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=S)NC
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(p-tolylmethyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-[(4-methylphenyl)methyl]propanamide
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
CAS Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone
IUPAC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
SYSTEMATIC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
MOLECULAR FORMULA: C21H36N4O3S+2
MOLECULAR WEIGHT: 424.60054
SMILES: CC[NH+]1CCN(CC1)C(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C
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Product OPENEYE NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CAS Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-(4-ethyl-1-piperazinyl)-1-propanone
IUPAC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C21H34N4O3S
MOLECULAR WEIGHT: 422.58466
SMILES: CCN1CCN(CC1)C(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C
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Product OPENEYE NAME: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC[C@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone
IUPAC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
SYSTEMATIC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
MOLECULAR FORMULA: C21H36N4O3S+2
MOLECULAR WEIGHT: 424.60054
SMILES: CC[NH+]1CCN(CC1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C
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