Sunday, May 19, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-pyridinecarboxamide
IUPAC NAME: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
SYSTEMATIC NAME: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C22H24N4O3S
MOLECULAR WEIGHT: 424.51596
SMILES: CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)NC(=O)C(C)C
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Product OPENEYE NAME: N-[4-[[[2-(3-fluoro-4-methoxy-phenyl)acetyl]amino]methyl]phenyl]-2-methyl-propanamide
CAS Name: N-[4-[[[2-(3-fluoro-4-methoxyphenyl)-1-oxoethyl]amino]methyl]phenyl]-2-methylpropanamide
IUPAC NAME: N-[4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
SYSTEMATIC NAME: N-[4-[[2-(3-fluoranyl-4-methoxy-phenyl)ethanoylamino]methyl]phenyl]-2-methyl-propanamide
MOLECULAR FORMULA: C20H23FN2O3
MOLECULAR WEIGHT: 358.406623
SMILES: CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)CC2=CC(=C(C=C2)OC)F
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Product OPENEYE NAME: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzamide
CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-[[(2S)-2-oxolanyl]methoxy]benzamide
IUPAC NAME: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
SYSTEMATIC NAME: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2OC[C@@H]3CCCO3
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Product OPENEYE NAME: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzamide
CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-[[(2R)-2-oxolanyl]methoxy]benzamide
IUPAC NAME: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
SYSTEMATIC NAME: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2OC[C@H]3CCCO3
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(p-tolyl)imidazolidin-1-yl]acetamide
CAS Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetamide
IUPAC NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
MOLECULAR FORMULA: C21H20N4O3S
MOLECULAR WEIGHT: 408.4735
SMILES: CC1=CC=C(C=C1)[C@]2(C(=O)N(C(=O)N2)CC(=O)N(C)C3=NC4=CC=CC=C4S3)C
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(p-tolyl)imidazolidin-1-yl]acetamide
CAS Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetamide
IUPAC NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
MOLECULAR FORMULA: C21H20N4O3S
MOLECULAR WEIGHT: 408.4735
SMILES: CC1=CC=C(C=C1)[C@@]2(C(=O)N(C(=O)N2)CC(=O)N(C)C3=NC4=CC=CC=C4S3)C
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Product OPENEYE NAME: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C23H18N2O3
MOLECULAR WEIGHT: 370.40062
SMILES: CC1=NC=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C23H18N2O3
MOLECULAR WEIGHT: 370.40062
SMILES: CC1=NC=C(C=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide
CAS Name: N-(1,3-benzothiazol-2-yl)-N-methyl-4-(2-methyl-4-oxo-3-quinazolinyl)benzamide
IUPAC NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-N-methyl-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide
MOLECULAR FORMULA: C24H18N4O2S
MOLECULAR WEIGHT: 426.49032
SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N(C)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester
IUPAC NAME: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C22H21N3O4
MOLECULAR WEIGHT: 391.41984
SMILES: CC1=NC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)NC(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C16H14FN3O4
MOLECULAR WEIGHT: 331.298463
SMILES: CC1=NC=C(C=C1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F
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Product OPENEYE NAME: 6-chloro-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CAS Name: 6-chloro-7-[[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 6-chloro-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-chloranyl-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C17H22ClN3O5S
MOLECULAR WEIGHT: 415.89168
SMILES: CC(C)(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl
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Product OPENEYE NAME: ethyl 5-cyano-6-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridine-2-carboxylate
CAS Name: 5-cyano-6-[2-(4-ethoxyphenoxy)ethylthio]-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-6-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridine-2-carboxylate
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: CCOC1=CC=C(C=C1)OCCSC2=C(C=CC(=N2)C(=O)OCC)C#N
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Product OPENEYE NAME: ethyl 5-cyano-6-[(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl]sulfanyl-pyridine-2-carboxylate
CAS Name: 5-cyano-6-[[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]thio]-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-6-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-2-carboxylate
MOLECULAR FORMULA: C19H19N3O3S
MOLECULAR WEIGHT: 369.43746
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)S[C@@H](C)C(=O)N(C)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 5-cyano-6-[(1R)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl]sulfanyl-pyridine-2-carboxylate
CAS Name: 5-cyano-6-[[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl]thio]-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-6-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[(2R)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-2-carboxylate
MOLECULAR FORMULA: C19H19N3O3S
MOLECULAR WEIGHT: 369.43746
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)S[C@H](C)C(=O)N(C)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 5-cyano-6-[(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-pyridine-2-carboxylate
CAS Name: 5-cyano-6-[[(2S)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-6-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-2-carboxylate
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)S[C@@H](C)C(=O)NCCC2=CCCCC2
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Product OPENEYE NAME: ethyl 5-cyano-6-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-pyridine-2-carboxylate
CAS Name: 5-cyano-6-[[(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-6-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-2-carboxylate
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)S[C@H](C)C(=O)NCCC2=CCCCC2
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Product OPENEYE NAME: ethyl 6-[(1S)-2-amino-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-pyridine-2-carboxylate
CAS Name: 6-[[(2S)-1-amino-1-oxopropan-2-yl]thio]-5-cyano-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-5-cyanopyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 6-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-pyridine-2-carboxylate
MOLECULAR FORMULA: C12H13N3O3S
MOLECULAR WEIGHT: 279.31492
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)S[C@@H](C)C(=O)N
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Product OPENEYE NAME: ethyl 6-[(1R)-2-amino-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-pyridine-2-carboxylate
CAS Name: 6-[[(2R)-1-amino-1-oxopropan-2-yl]thio]-5-cyano-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[(2R)-1-amino-1-oxopropan-2-yl]sulfanyl-5-cyanopyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 6-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-pyridine-2-carboxylate
MOLECULAR FORMULA: C12H13N3O3S
MOLECULAR WEIGHT: 279.31492
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)S[C@H](C)C(=O)N
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Product OPENEYE NAME: ethyl 6-[2-(2-acetylphenoxy)ethylsulfanyl]-5-cyano-pyridine-2-carboxylate
CAS Name: 6-[2-(2-acetylphenoxy)ethylthio]-5-cyano-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[2-(2-acetylphenoxy)ethylsulfanyl]-5-cyanopyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[2-(2-ethanoylphenoxy)ethylsulfanyl]pyridine-2-carboxylate
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 370.42222
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)SCCOC2=CC=CC=C2C(=O)C
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Product OPENEYE NAME: ethyl 5-cyano-6-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-2-carboxylate
CAS Name: 5-cyano-6-[2-(4-cyanophenoxy)ethylthio]-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-6-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[2-(4-cyanophenoxy)ethylsulfanyl]pyridine-2-carboxylate
MOLECULAR FORMULA: C18H15N3O3S
MOLECULAR WEIGHT: 353.395
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)SCCOC2=CC=C(C=C2)C#N
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Product OPENEYE NAME: ethyl 6-[(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-pyridine-2-carboxylate
CAS Name: 5-cyano-6-[[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-2-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-6-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-pyridine-2-carboxylate
MOLECULAR FORMULA: C15H17N3O3S
MOLECULAR WEIGHT: 319.37878
SMILES: CCOC(=O)C1=NC(=C(C=C1)C#N)S[C@@H](C)C(=O)NCC=C
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