Product OPENEYE NAME: N-benzyl-6-isopropyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-6-propan-2-yl-4-pyrimidinamine
IUPAC NAME: N-benzyl-2-(4-methylsulfonylphenyl)-6-propan-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-6-propan-2-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C21H23N3O2S
MOLECULAR WEIGHT: 381.49122
SMILES: CC(C)C1=CC(=NC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)NCC3=CC=CC=C3
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Product OPENEYE NAME: N-[(5-chloro-2-thienyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(5-chloranylthiophen-2-yl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H13ClF3N3O2S2
MOLECULAR WEIGHT: 447.88223
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(S3)Cl)C(F)(F)F
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Product OPENEYE NAME: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-tetradecanamide
CAS Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
IUPAC NAME: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
SYSTEMATIC NAME: N-methyl-N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]tetradecanamide
MOLECULAR FORMULA: C24H41NO2
MOLECULAR WEIGHT: 375.58784
SMILES: CCCCCCCCCCCCCC(=O)N(C)[C@H](C)[C@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: 7-methoxy-10-methyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 7-methoxy-10-methyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 7-methoxy-10-methyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7-methoxy-10-methyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C13H12N4O3S
MOLECULAR WEIGHT: 304.32438
SMILES: CN1C2=C(C=C(C=C2)OC)[N+](=C3C1=NC(=NC3=O)SC)[O-]
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Product OPENEYE NAME: 8-methoxy-10-methyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 8-methoxy-10-methyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 8-methoxy-10-methyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 8-methoxy-10-methyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C13H12N4O3S
MOLECULAR WEIGHT: 304.32438
SMILES: CN1C2=C(C=CC(=C2)OC)[N+](=C3C1=NC(=NC3=O)SC)[O-]
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Product OPENEYE NAME: 10-ethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 10-ethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 10-ethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 10-ethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C13H12N4O2S
MOLECULAR WEIGHT: 288.32498
SMILES: CCN1C2=CC=CC=C2[N+](=C3C1=NC(=NC3=O)SC)[O-]
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Product OPENEYE NAME: 7,10-dimethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 7,10-dimethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 7,10-dimethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7,10-dimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C13H12N4O2S
MOLECULAR WEIGHT: 288.32498
SMILES: CC1=CC2=C(C=C1)N(C3=NC(=NC(=O)C3=[N+]2[O-])SC)C
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Product OPENEYE NAME: (4-methyl-8-nitro-2-oxo-chromen-7-yl) acetate
CAS Name: acetic acid (4-methyl-8-nitro-2-oxo-1-benzopyran-7-yl) ester
IUPAC NAME: (4-methyl-8-nitro-2-oxochromen-7-yl) acetate
SYSTEMATIC NAME: (4-methyl-8-nitro-2-oxidanylidene-chromen-7-yl) ethanoate
MOLECULAR FORMULA: C12H9NO6
MOLECULAR WEIGHT: 263.20296
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2[N+](=O)[O-])OC(=O)C
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Product OPENEYE NAME: (4-methyl-6-nitro-2-oxo-chromen-7-yl) acetate
CAS Name: acetic acid (4-methyl-6-nitro-2-oxo-1-benzopyran-7-yl) ester
IUPAC NAME: (4-methyl-6-nitro-2-oxochromen-7-yl) acetate
SYSTEMATIC NAME: (4-methyl-6-nitro-2-oxidanylidene-chromen-7-yl) ethanoate
MOLECULAR FORMULA: C12H9NO6
MOLECULAR WEIGHT: 263.20296
SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OC(=O)C
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 3-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C27H33NO3
MOLECULAR WEIGHT: 419.55582
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)CC4=CC=CC(=C4)C(=O)N)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentan-1-amine
CAS Name: 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]-1-pentanamine
IUPAC NAME: 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentan-1-amine
SYSTEMATIC NAME: 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentan-1-amine
MOLECULAR FORMULA: C13H22N4OS
MOLECULAR WEIGHT: 282.40498
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCCCCN
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Product OPENEYE NAME: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-amine
CAS Name: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]-1-butanamine
IUPAC NAME: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-amine
SYSTEMATIC NAME: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-amine
MOLECULAR FORMULA: C12H20N4OS
MOLECULAR WEIGHT: 268.3784
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCCCN
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,16R)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 3-[[(8R,9S,13S,14S,16R)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 3-[[(8R,9S,13S,14S,16R)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,16R)-13-methyl-3-oxidanyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C26H29NO3
MOLECULAR WEIGHT: 403.51336
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)CC4=CC=CC(=C4)C(=O)N)CCC5=C3C=CC(=C5)O
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Product OPENEYE NAME: N-[2-(4-fluorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
CAS Name: N-[2-(4-fluorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
IUPAC NAME: N-[2-(4-fluorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-fluorophenyl)ethyl]-7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
MOLECULAR FORMULA: C19H21FN2O2S
MOLECULAR WEIGHT: 360.445643
SMILES: C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)F)O)O
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Product OPENEYE NAME: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
CAS Name: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
IUPAC NAME: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SYSTEMATIC NAME: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
MOLECULAR FORMULA: C22H18F7NO3
MOLECULAR WEIGHT: 477.372042
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](CN3[C@@H]2COC3=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 3-methylene-1,5-bis(p-tolylsulfonyl)-9-(pyrrol-1-ylmethyl)-1,5,9-triazacyclododecane
CAS Name: 3-methylene-1,5-bis-(4-methylphenyl)sulfonyl-9-(1-pyrrolylmethyl)-1,5,9-triazacyclododecane
IUPAC NAME: 3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-9-(pyrrol-1-ylmethyl)-1,5,9-triazacyclododecane
SYSTEMATIC NAME: 3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-9-(pyrrol-1-ylmethyl)-1,5,9-triazacyclododecane
MOLECULAR FORMULA: C29H38N4O4S2
MOLECULAR WEIGHT: 570.76642
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CN4C=CC=C4
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Product OPENEYE NAME: (2S)-1-[(2S,3S)-3-[(3-amino-2-chloro-benzoyl)amino]-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-pyrrolidine-2-carboxamide
CAS Name: (2S)-1-[(2S,3S)-3-[[(3-amino-2-chlorophenyl)-oxomethyl]amino]-2-hydroxy-4-(4-methoxyphenyl)-1-oxobutyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-1-[(2S,3S)-3-[(3-amino-2-chlorobenzoyl)amino]-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2S,3S)-3-[(3-azanyl-2-chloranyl-phenyl)carbonylamino]-4-(4-methoxyphenyl)-2-oxidanyl-butanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C34H41ClN4O5
MOLECULAR WEIGHT: 621.16614
SMILES: CC1=C(C(=CC=C1)C)CNC(=O)[C@@H]2C(CCN2C(=O)[C@H]([C@H](CC3=CC=C(C=C3)OC)NC(=O)C4=C(C(=CC=C4)N)Cl)O)(C)C
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Product OPENEYE NAME: (2S)-1-[(2S,3S)-3-[(3-amino-2-chloro-benzoyl)amino]-4-(4-ethoxyphenyl)-2-hydroxy-butanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-pyrrolidine-2-carboxamide
CAS Name: (2S)-1-[(2S,3S)-3-[[(3-amino-2-chlorophenyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-2-hydroxy-1-oxobutyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-1-[(2S,3S)-3-[(3-amino-2-chlorobenzoyl)amino]-4-(4-ethoxyphenyl)-2-hydroxybutanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2S,3S)-3-[(3-azanyl-2-chloranyl-phenyl)carbonylamino]-4-(4-ethoxyphenyl)-2-oxidanyl-butanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C35H43ClN4O5
MOLECULAR WEIGHT: 635.19272
SMILES: CCOC1=CC=C(C=C1)C[C@@H]([C@@H](C(=O)N2CCC([C@H]2C(=O)NCC3=C(C=CC=C3C)C)(C)C)O)NC(=O)C4=C(C(=CC=C4)N)Cl
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Product OPENEYE NAME: trimethyl-[(4-sulfanylphenyl)methyl]ammonium
CAS Name: (4-mercaptophenyl)methyl-trimethylammonium
IUPAC NAME: trimethyl-[(4-sulfanylphenyl)methyl]azanium
SYSTEMATIC NAME: trimethyl-[(4-sulfanylphenyl)methyl]azanium
MOLECULAR FORMULA: C10H16NS+
MOLECULAR WEIGHT: 182.30574
SMILES: C[N+](C)(C)CC1=CC=C(C=C1)S
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Product OPENEYE NAME: [(2R,3R,4S,5S,6S)-3,4,5-triacetoxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]ethoxy]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)ethanoyl]amino]ethoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C22H30N4O13
MOLECULAR WEIGHT: 558.4926
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCCN(C)C(=O)CN2C=CN=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]ethoxy]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[methyl-[2-(2-nitroimidazol-1-yl)ethanoyl]amino]ethoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C22H30N4O13
MOLECULAR WEIGHT: 558.4926
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCN(C)C(=O)CN2C=CN=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 6-chloro-N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-chloro-N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)-4-pyrimidinamine
IUPAC NAME: 6-chloro-N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H17ClFN3O2S
MOLECULAR WEIGHT: 405.873583
SMILES: CC1=C(N=C(N=C1Cl)C2=CC=C(C=C2)S(=O)(=O)C)NCC3=CC=C(C=C3)F
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