Monday, May 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CAS Name: 3-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-propanamine
IUPAC NAME: 3-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
SYSTEMATIC NAME: 3-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
MOLECULAR FORMULA: C19H25NO4S
MOLECULAR WEIGHT: 363.4711
SMILES: C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)NCCCOC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (5-cyano-2-fluoro-phenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium
CAS Name: (5-cyano-2-fluorophenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium
IUPAC NAME: (5-cyano-2-fluorophenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium
SYSTEMATIC NAME: (5-cyano-2-fluoranyl-phenyl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium
MOLECULAR FORMULA: C17H18FN2O2S+
MOLECULAR WEIGHT: 333.400423
SMILES: C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=C(C=CC(=C2)C#N)F
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Product OPENEYE NAME: 4-fluoro-3-[[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzonitrile
CAS Name: 4-fluoro-3-[[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzonitrile
IUPAC NAME: 4-fluoro-3-[[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzonitrile
SYSTEMATIC NAME: 4-fluoranyl-3-[[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C17H17FN2O2S
MOLECULAR WEIGHT: 332.392483
SMILES: C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)NCC2=C(C=CC(=C2)C#N)F
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Product OPENEYE NAME: (5-cyano-2-fluoro-phenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium
CAS Name: (5-cyano-2-fluorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium
IUPAC NAME: (5-cyano-2-fluorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium
SYSTEMATIC NAME: (5-cyano-2-fluoranyl-phenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium
MOLECULAR FORMULA: C17H18FN2O2S+
MOLECULAR WEIGHT: 333.400423
SMILES: C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=C(C=CC(=C2)C#N)F
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Product OPENEYE NAME: 4-fluoro-3-[[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzonitrile
CAS Name: 4-fluoro-3-[[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzonitrile
IUPAC NAME: 4-fluoro-3-[[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzonitrile
SYSTEMATIC NAME: 4-fluoranyl-3-[[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C17H17FN2O2S
MOLECULAR WEIGHT: 332.392483
SMILES: C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NCC2=C(C=CC(=C2)C#N)F
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Product OPENEYE NAME: dicyclopropylmethyl-[(7-methoxy-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: dicyclopropylmethyl-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium
IUPAC NAME: dicyclopropylmethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]azanium
SYSTEMATIC NAME: dicyclopropylmethyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]azanium
MOLECULAR FORMULA: C18H22NO3+
MOLECULAR WEIGHT: 300.37218
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C(C3CC3)C4CC4
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Product OPENEYE NAME: 4-[(dicyclopropylmethylamino)methyl]-7-methoxy-chromen-2-one
CAS Name: 4-[(dicyclopropylmethylamino)methyl]-7-methoxy-1-benzopyran-2-one
IUPAC NAME: 4-[(dicyclopropylmethylamino)methyl]-7-methoxychromen-2-one
SYSTEMATIC NAME: 4-[(dicyclopropylmethylamino)methyl]-7-methoxy-chromen-2-one
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)CNC(C3CC3)C4CC4
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Product OPENEYE NAME: (7-acetamido-2-oxo-chromen-4-yl)methyl-(dicyclopropylmethyl)ammonium
CAS Name: (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl-(dicyclopropylmethyl)ammonium
IUPAC NAME: (7-acetamido-2-oxochromen-4-yl)methyl-(dicyclopropylmethyl)azanium
SYSTEMATIC NAME: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl-(dicyclopropylmethyl)azanium
MOLECULAR FORMULA: C19H23N2O3+
MOLECULAR WEIGHT: 327.39752
SMILES: CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C(C3CC3)C4CC4
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Product OPENEYE NAME: N-[4-[(dicyclopropylmethylamino)methyl]-2-oxo-chromen-7-yl]acetamide
CAS Name: N-[4-[(dicyclopropylmethylamino)methyl]-2-oxo-1-benzopyran-7-yl]acetamide
IUPAC NAME: N-[4-[(dicyclopropylmethylamino)methyl]-2-oxochromen-7-yl]acetamide
SYSTEMATIC NAME: N-[4-[(dicyclopropylmethylamino)methyl]-2-oxidanylidene-chromen-7-yl]ethanamide
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CNC(C3CC3)C4CC4
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Product OPENEYE NAME: 1-(dicyclopropylmethyl)-3-(2,4-difluorophenyl)urea
CAS Name: 1-(dicyclopropylmethyl)-3-(2,4-difluorophenyl)urea
IUPAC NAME: 1-(dicyclopropylmethyl)-3-(2,4-difluorophenyl)urea
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-3-(dicyclopropylmethyl)urea
MOLECULAR FORMULA: C14H16F2N2O
MOLECULAR WEIGHT: 266.286446
SMILES: C1CC1C(C2CC2)NC(=O)NC3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: 1-(dicyclopropylmethyl)-3-(3-pyridyl)urea
CAS Name: 1-(dicyclopropylmethyl)-3-(3-pyridinyl)urea
IUPAC NAME: 1-(dicyclopropylmethyl)-3-pyridin-3-ylurea
SYSTEMATIC NAME: 1-(dicyclopropylmethyl)-3-pyridin-3-yl-urea
MOLECULAR FORMULA: C13H17N3O
MOLECULAR WEIGHT: 231.29358
SMILES: C1CC1C(C2CC2)NC(=O)NC3=CN=CC=C3
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Product OPENEYE NAME: (2S)-N-(4-acetamidophenyl)-1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide
CAS Name: (2S)-N-(4-acetamidophenyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-(4-acetamidophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-(4-acetamidophenyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C17H18ClN3O4S2
MOLECULAR WEIGHT: 427.92552
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(S3)Cl
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Product OPENEYE NAME: (2R)-N-(4-acetamidophenyl)-1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide
CAS Name: (2R)-N-(4-acetamidophenyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide
IUPAC NAME: (2R)-N-(4-acetamidophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-(4-acetamidophenyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C17H18ClN3O4S2
MOLECULAR WEIGHT: 427.92552
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=C(S3)Cl
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Product OPENEYE NAME: methyl 2-[[(E)-3-(8-quinolyl)prop-2-enoyl]amino]benzoate
CAS Name: 2-[[(E)-1-oxo-3-(8-quinolinyl)prop-2-enyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
MOLECULAR FORMULA: C20H16N2O3
MOLECULAR WEIGHT: 332.35264
SMILES: COC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: N-[(1R)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(1R)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(1R)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-(4-bromophenyl)propyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C18H17BrN3O2+
MOLECULAR WEIGHT: 387.25048
SMILES: CC[C@H](C1=CC=C(C=C1)Br)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C18H17BrN3O2+
MOLECULAR WEIGHT: 387.25048
SMILES: CC[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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