Tuesday, June 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (Z)-3-(4-aminoanilino)-1,3-diphenyl-2-sulfanyl-prop-2-en-1-one
CAS Name: (Z)-3-(4-aminoanilino)-2-mercapto-1,3-diphenyl-2-propen-1-one
IUPAC NAME: (Z)-3-(4-aminoanilino)-1,3-diphenyl-2-sulfanylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-3-[(4-aminophenyl)amino]-1,3-diphenyl-2-sulfanyl-prop-2-en-1-one
MOLECULAR FORMULA: C21H18N2OS
MOLECULAR WEIGHT: 346.44542
SMILES: C1=CC=C(C=C1)/C(=C(\C(=O)C2=CC=CC=C2)/S)/NC3=CC=C(C=C3)N
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Product OPENEYE NAME: (Z)-3-(4-methylanilino)-1,3-diphenyl-2-sulfanyl-prop-2-en-1-one
CAS Name: (Z)-2-mercapto-3-(4-methylanilino)-1,3-diphenyl-2-propen-1-one
IUPAC NAME: (Z)-3-(4-methylanilino)-1,3-diphenyl-2-sulfanylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-3-[(4-methylphenyl)amino]-1,3-diphenyl-2-sulfanyl-prop-2-en-1-one
MOLECULAR FORMULA: C22H19NOS
MOLECULAR WEIGHT: 345.45736
SMILES: CC1=CC=C(C=C1)N/C(=C(/C(=O)C2=CC=CC=C2)\S)/C3=CC=CC=C3
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Product OPENEYE NAME: (1R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hex-3-ene
CAS Name: (1R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hex-3-ene
IUPAC NAME: (1R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hex-3-ene
SYSTEMATIC NAME: (1R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hex-3-ene
MOLECULAR FORMULA: C17H15N
MOLECULAR WEIGHT: 233.3077
SMILES: C1[C@@H]2[C@]1(C(=NC2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (1R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hex-3-ene
CAS Name: (1R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hex-3-ene
IUPAC NAME: (1R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hex-3-ene
SYSTEMATIC NAME: (1R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hex-3-ene
MOLECULAR FORMULA: C12H13N
MOLECULAR WEIGHT: 171.23832
SMILES: CC1=NC[C@H]2[C@@]1(C2)C3=CC=CC=C3
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Product OPENEYE NAME: (1R,4S,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
CAS Name: (1R,4S,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
IUPAC NAME: (1R,4S,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
SYSTEMATIC NAME: (1R,4S,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
MOLECULAR FORMULA: C17H17N
MOLECULAR WEIGHT: 235.32358
SMILES: C1[C@@H]2[C@]1([C@@H](NC2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (1R,4S,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
CAS Name: (1R,4S,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
IUPAC NAME: (1R,4S,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
SYSTEMATIC NAME: (1R,4S,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: C[C@H]1[C@]2(C[C@H]2CN1)C3=CC=CC=C3
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Product OPENEYE NAME: tert-butyl N-[[(1R,2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenyl-cyclopropyl]methyl]carbamate
CAS Name: N-[[(1R,2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[(1R,2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[(1R,2S)-2-[(S)-oxidanyl(phenyl)methyl]-2-phenyl-cyclopropyl]methyl]carbamate
MOLECULAR FORMULA: C22H27NO3
MOLECULAR WEIGHT: 353.45468
SMILES: CC(C)(C)OC(=O)NC[C@@H]1C[C@]1(C2=CC=CC=C2)[C@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: tert-butyl N-[[(1R,2S)-2-[(1S)-1-hydroxyethyl]-2-phenyl-cyclopropyl]methyl]carbamate
CAS Name: N-[[(1R,2S)-2-[(1S)-1-hydroxyethyl]-2-phenylcyclopropyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[(1R,2S)-2-[(1S)-1-hydroxyethyl]-2-phenylcyclopropyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[(1R,2S)-2-[(1S)-1-oxidanylethyl]-2-phenyl-cyclopropyl]methyl]carbamate
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: C[C@@H]([C@]1(C[C@H]1CNC(=O)OC(C)(C)C)C2=CC=CC=C2)O
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Product OPENEYE NAME: tert-butyl N-[[(1R,2S)-2-[(R)-hydroxy(phenyl)methyl]-2-phenyl-cyclopropyl]methyl]carbamate
CAS Name: N-[[(1R,2S)-2-[(R)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[(1R,2S)-2-[(R)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[(1R,2S)-2-[(R)-oxidanyl(phenyl)methyl]-2-phenyl-cyclopropyl]methyl]carbamate
MOLECULAR FORMULA: C22H27NO3
MOLECULAR WEIGHT: 353.45468
SMILES: CC(C)(C)OC(=O)NC[C@@H]1C[C@]1(C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: tert-butyl N-[[(1R,2S)-2-[(1R)-1-hydroxyethyl]-2-phenyl-cyclopropyl]methyl]carbamate
CAS Name: N-[[(1R,2S)-2-[(1R)-1-hydroxyethyl]-2-phenylcyclopropyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[(1R,2S)-2-[(1R)-1-hydroxyethyl]-2-phenylcyclopropyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[(1R,2S)-2-[(1R)-1-oxidanylethyl]-2-phenyl-cyclopropyl]methyl]carbamate
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: C[C@H]([C@]1(C[C@H]1CNC(=O)OC(C)(C)C)C2=CC=CC=C2)O
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Product OPENEYE NAME: tert-butyl (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CAS Name: (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
SYSTEMATIC NAME: tert-butyl (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
MOLECULAR FORMULA: C22H25NO2
MOLECULAR WEIGHT: 335.4394
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2([C@H]1C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: tert-butyl (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CAS Name: (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
SYSTEMATIC NAME: tert-butyl (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: C[C@@H]1[C@]2(C[C@H]2CN1C(=O)OC(C)(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
CAS Name: (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
IUPAC NAME: (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
SYSTEMATIC NAME: (1R,4R,5S)-4,5-diphenyl-3-azabicyclo[3.1.0]hexane
MOLECULAR FORMULA: C17H17N
MOLECULAR WEIGHT: 235.32358
SMILES: C1[C@@H]2[C@]1([C@H](NC2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
CAS Name: (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
IUPAC NAME: (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
SYSTEMATIC NAME: (1R,4R,5S)-4-methyl-5-phenyl-3-azabicyclo[3.1.0]hexane
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: C[C@@H]1[C@]2(C[C@H]2CN1)C3=CC=CC=C3
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Product OPENEYE NAME: (1R,5S)-5-phenyl-3-azabicyclo[3.1.0]hexan-4-one
CAS Name: (1R,5S)-5-phenyl-3-azabicyclo[3.1.0]hexan-4-one
IUPAC NAME: (1R,5S)-5-phenyl-3-azabicyclo[3.1.0]hexan-4-one
SYSTEMATIC NAME: (1R,5S)-5-phenyl-3-azabicyclo[3.1.0]hexan-4-one
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: C1[C@@H]2[C@]1(C(=O)NC2)C3=CC=CC=C3
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Product OPENEYE NAME: tert-butyl (1R,5S)-4-oxo-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CAS Name: (1R,5S)-4-oxo-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (1R,5S)-4-oxo-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
SYSTEMATIC NAME: tert-butyl (1R,5S)-4-oxidanylidene-5-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: (1R,5S)-5-phenyl-3-trimethylsilyl-3-azabicyclo[3.1.0]hexan-4-one
CAS Name: (1R,5S)-5-phenyl-3-trimethylsilyl-3-azabicyclo[3.1.0]hexan-4-one
IUPAC NAME: (1R,5S)-5-phenyl-3-trimethylsilyl-3-azabicyclo[3.1.0]hexan-4-one
SYSTEMATIC NAME: (1R,5S)-5-phenyl-3-trimethylsilyl-3-azabicyclo[3.1.0]hexan-4-one
MOLECULAR FORMULA: C14H19NOSi
MOLECULAR WEIGHT: 245.39226
SMILES: C[Si](C)(C)N1C[C@@H]2C[C@@]2(C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: tert-butyl N-[[(1R,2S)-2-benzoyl-2-phenyl-cyclopropyl]methyl]carbamate
CAS Name: N-[[(1R,2S)-2-benzoyl-2-phenylcyclopropyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[(1R,2S)-2-benzoyl-2-phenylcyclopropyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[(1R,2S)-2-phenyl-2-(phenylcarbonyl)cyclopropyl]methyl]carbamate
MOLECULAR FORMULA: C22H25NO3
MOLECULAR WEIGHT: 351.4388
SMILES: CC(C)(C)OC(=O)NC[C@@H]1C[C@]1(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: tert-butyl N-[[(1R,2S)-2-acetyl-2-phenyl-cyclopropyl]methyl]carbamate
CAS Name: N-[[(1R,2S)-2-acetyl-2-phenylcyclopropyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[(1R,2S)-2-acetyl-2-phenylcyclopropyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[(1R,2S)-2-ethanoyl-2-phenyl-cyclopropyl]methyl]carbamate
MOLECULAR FORMULA: C17H23NO3
MOLECULAR WEIGHT: 289.36942
SMILES: CC(=O)[C@]1(C[C@H]1CNC(=O)OC(C)(C)C)C2=CC=CC=C2
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Product OPENEYE NAME: 1H-thieno[3,4-d]pyrimidine-4-thione
CAS Name: 1H-thieno[3,4-d]pyrimidine-4-thione
IUPAC NAME: 1H-thieno[3,4-d]pyrimidine-4-thione
SYSTEMATIC NAME: 1H-thieno[3,4-d]pyrimidine-4-thione
MOLECULAR FORMULA: C6H4N2S2
MOLECULAR WEIGHT: 168.23936
SMILES: C1=C2C(=CS1)NC=NC2=S
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Product OPENEYE NAME: methyl 5-[(3R,4R,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-4-formamido-thiophene-3-carboxylate
CAS Name: 5-[(3R,4R,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)-2-oxolanyl]-4-formamido-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[(3R,4R,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-formamidothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 5-[(3R,4R,5R)-3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-4-formamido-thiophene-3-carboxylate
MOLECULAR FORMULA: C33H27NO10S
MOLECULAR WEIGHT: 629.63318
SMILES: COC(=O)C1=CSC(=C1NC=O)C2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: ethyl (2R)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-2-carboxylate
CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (2R)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl (2R)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate
MOLECULAR FORMULA: C14H17NO4S
MOLECULAR WEIGHT: 295.35408
SMILES: CCOC(=O)[C@H]1C=CCN1S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: O1-benzyl O2-ethyl (2R)-2,5-dihydropyrrole-1,2-dicarboxylate
CAS Name: (2R)-2,5-dihydropyrrole-1,2-dicarboxylic acid O2-ethyl ester O1-(phenylmethyl) ester
IUPAC NAME: 1-O-benzyl 2-O-ethyl (2R)-2,5-dihydropyrrole-1,2-dicarboxylate
SYSTEMATIC NAME: O2-ethyl O1-(phenylmethyl) (2R)-2,5-dihydropyrrole-1,2-dicarboxylate
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CCOC(=O)[C@H]1C=CCN1C(=O)OCC2=CC=CC=C2
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