Product OPENEYE NAME: 7-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
CAS Name: 7-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
IUPAC NAME: 7-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
SYSTEMATIC NAME: 7-[1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
MOLECULAR FORMULA: C20H16N6O6S
MOLECULAR WEIGHT: 468.44264
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=NC5=C4C(=O)N=CN5
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Product OPENEYE NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-methylpiperazin-1-yl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-methyl-1-piperazinyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-methylpiperazin-1-yl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-methylpiperazin-1-yl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C32H40FN5O2S
MOLECULAR WEIGHT: 577.755703
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)CN5CCN(CC5)C)C=NN4C6=CC=C(C=C6)F
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Product OPENEYE NAME: 4-chloro-N-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: 4-chloro-N-[5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: 4-chloro-N-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C17H14ClN3O2S2
MOLECULAR WEIGHT: 391.89496
SMILES: COC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (4aR)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aR)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aR)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aR)-1-(4-fluorophenyl)-4a-(methoxymethyl)-6-(phenylsulfonyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C24H24FN3O3S
MOLECULAR WEIGHT: 453.529063
SMILES: COC[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=CC=C4)N(N=C3)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 4-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]morpholine
CAS Name: 4-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]morpholine
IUPAC NAME: 4-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]morpholine
SYSTEMATIC NAME: 4-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]morpholine
MOLECULAR FORMULA: C31H37FN4O3S
MOLECULAR WEIGHT: 564.713883
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)CN5CCOCC5)C=NN4C6=CC=C(C=C6)F
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Product OPENEYE NAME: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
CAS Name: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
IUPAC NAME: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
SYSTEMATIC NAME: [(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
MOLECULAR FORMULA: C27H30FN3O3S
MOLECULAR WEIGHT: 495.608803
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)CO)C=NN4C5=CC=C(C=C5)F
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Product OPENEYE NAME: [(4aR)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
CAS Name: [(4aR)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
IUPAC NAME: [(4aR)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
SYSTEMATIC NAME: [(4aR)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
MOLECULAR FORMULA: C23H21F2N3O3S
MOLECULAR WEIGHT: 457.492946
SMILES: C1CN(C[C@@]2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)CO)S(=O)(=O)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 2-(3,5-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-furyl)pyrimidin-4-yl]acetamide
CAS Name: 2-(3,5-difluorophenyl)-N-[6-(3,5-dimethyl-1-pyrazolyl)-2-(5-methyl-2-furanyl)-4-pyrimidinyl]acetamide
IUPAC NAME: 2-(3,5-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SYSTEMATIC NAME: 2-[3,5-bis(fluoranyl)phenyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]ethanamide
MOLECULAR FORMULA: C22H19F2N5O2
MOLECULAR WEIGHT: 423.415366
SMILES: CC1=CC=C(O1)C2=NC(=CC(=N2)NC(=O)CC3=CC(=CC(=C3)F)F)N4C(=CC(=N4)C)C
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Product OPENEYE NAME: 3-bromo-7-[(2,6-dimethylphenyl)methylamino]-N,2-dimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 3-bromo-7-[(2,6-dimethylphenyl)methylamino]-N,2-dimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
IUPAC NAME: 3-bromo-7-[(2,6-dimethylphenyl)methylamino]-N,2-dimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 3-bromanyl-7-[(2,6-dimethylphenyl)methylamino]-N,2-dimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C19H21BrN4O
MOLECULAR WEIGHT: 401.30024
SMILES: CC1=C(C(=CC=C1)C)CNC2=CC(=NC3=C2NC(=C3Br)C)C(=O)NC
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Product OPENEYE NAME: methyl 5-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-2-carboxylate
CAS Name: 5-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-pyrimidinyl]methyl]-2-selenophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-butyl-2-methyl-6-oxidanylidene-5-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-2-carboxylate
MOLECULAR FORMULA: C30H30N6O3Se
MOLECULAR WEIGHT: 601.5576
SMILES: CCCCC1=C(C(=O)N(C(=N1)C)CC2=CC=C([Se]2)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
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Product OPENEYE NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-tert-butyl-5-[(1-methyl-2-imidazolyl)thio]-1H-pyrimidin-6-ylidene]-4-methoxy-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-methoxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C19H22N4O2S
MOLECULAR WEIGHT: 370.46858
SMILES: CC(C)(C)C1=NC=C(/C(=C/2\C=C(C=CC2=O)OC)/N1)SC3=NC=CN3C
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Product OPENEYE NAME: (6Z)-6-[2-(4-aminophenyl)-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-(4-aminophenyl)-5-[(1-methyl-2-imidazolyl)thio]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-(4-aminophenyl)-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-(4-aminophenyl)-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H17N5OS
MOLECULAR WEIGHT: 375.44688
SMILES: CN1C=CN=C1SC\2=CN=C(N/C2=C\3/C=CC=CC3=O)C4=CC=C(C=C4)N
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Product OPENEYE NAME: (6Z)-6-[2-amino-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-amino-5-[(1-methyl-2-imidazolyl)thio]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-amino-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-azanyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H13N5OS
MOLECULAR WEIGHT: 299.35092
SMILES: CN1C=CN=C1SC\2=CN=C(N/C2=C\3/C=CC=CC3=O)N
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Product OPENEYE NAME: (6Z)-4-methoxy-6-[5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-methoxy-6-[5-[(1-methyl-2-imidazolyl)thio]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-methoxy-6-[5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-methoxy-6-[5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H14N4O2S
MOLECULAR WEIGHT: 314.36226
SMILES: CN1C=CN=C1SC\2=CN=CN/C2=C\3/C=C(C=CC3=O)OC
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Product OPENEYE NAME: 1-[(2-bromophenyl)methyl]-4-(3,4-dichlorophenyl)piperazine
CAS Name: 1-[(2-bromophenyl)methyl]-4-(3,4-dichlorophenyl)piperazine
IUPAC NAME: 1-[(2-bromophenyl)methyl]-4-(3,4-dichlorophenyl)piperazine
SYSTEMATIC NAME: 1-[(2-bromophenyl)methyl]-4-(3,4-dichlorophenyl)piperazine
MOLECULAR FORMULA: C17H17BrCl2N2
MOLECULAR WEIGHT: 400.14028
SMILES: C1CN(CCN1CC2=CC=CC=C2Br)C3=CC(=C(C=C3)Cl)Cl
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