Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole
CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C19H23N4O4S+
MOLECULAR WEIGHT: 403.47532
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=C(O3)C4=CC=CO4)C
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Product OPENEYE NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole
CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-5-(2-furanyl)-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C19H22N4O4S
MOLECULAR WEIGHT: 402.46738
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NN=C(O3)C4=CC=CO4)C
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Product OPENEYE NAME: 1-(3,4-dihydroxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(3,4-dihydroxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[3,4-bis(oxidanyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C19H16N2O3S
MOLECULAR WEIGHT: 352.40694
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)O)O
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(3-chloro-4-fluoro-phenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
SYSTEMATIC NAME: (2R)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H17ClFNO4
MOLECULAR WEIGHT: 365.783283
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
CAS Name: (2R)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone
IUPAC NAME: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one
SYSTEMATIC NAME: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
MOLECULAR FORMULA: C20H27N4OS+
MOLECULAR WEIGHT: 371.51958
SMILES: CC[NH+]1CCN(CC1)C(=O)[C@@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-1-(4-ethylpiperazin-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
CAS Name: (2R)-1-(4-ethyl-1-piperazinyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone
IUPAC NAME: (2R)-1-(4-ethylpiperazin-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one
SYSTEMATIC NAME: (2R)-1-(4-ethylpiperazin-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
MOLECULAR FORMULA: C20H26N4OS
MOLECULAR WEIGHT: 370.51164
SMILES: CCN1CCN(CC1)C(=O)[C@@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
MOLECULAR FORMULA: C18H25N4O4S+
MOLECULAR WEIGHT: 393.4805
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methylisoxazol-3-yl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
MOLECULAR FORMULA: C18H24N4O4S
MOLECULAR WEIGHT: 392.47256
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=NOC(=C3)C)C
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-methoxy-5-methyl-phenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-methoxy-5-methyl-phenyl)propanamide
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
MOLECULAR FORMULA: C21H29N2O4S+
MOLECULAR WEIGHT: 405.53096
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)OC)C
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Product OPENEYE NAME: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H20N2O6
MOLECULAR WEIGHT: 408.404
SMILES: CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone
IUPAC NAME: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one
SYSTEMATIC NAME: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
MOLECULAR FORMULA: C20H27N4OS+
MOLECULAR WEIGHT: 371.51958
SMILES: CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-1-(4-ethylpiperazin-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
CAS Name: (2S)-1-(4-ethyl-1-piperazinyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone
IUPAC NAME: (2S)-1-(4-ethylpiperazin-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one
SYSTEMATIC NAME: (2S)-1-(4-ethylpiperazin-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one
MOLECULAR FORMULA: C20H26N4OS
MOLECULAR WEIGHT: 370.51164
SMILES: CCN1CCN(CC1)C(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: 7-methoxy-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]chromen-2-one
CAS Name: 7-methoxy-4-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1-benzopyran-2-one
IUPAC NAME: 7-methoxy-4-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one
SYSTEMATIC NAME: 7-methoxy-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]chromen-2-one
MOLECULAR FORMULA: C22H18N2O3S
MOLECULAR WEIGHT: 390.45492
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C18H29N4O4S+
MOLECULAR WEIGHT: 397.51226
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC(C)C)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(isopropylcarbamoyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C18H28N4O4S
MOLECULAR WEIGHT: 396.50432
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC(C)C)C
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-methoxy-5-methyl-phenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-methoxy-5-methyl-phenyl)propanamide
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
MOLECULAR FORMULA: C20H21N3OS
MOLECULAR WEIGHT: 351.46524
SMILES: CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-chloro-3-pyridyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloropyridin-3-yl)propanamide
SYSTEMATIC NAME: (2S)-N-(2-chloranylpyridin-3-yl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C17H17ClN2O4
MOLECULAR WEIGHT: 348.78088
SMILES: C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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