Product OPENEYE NAME: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H17N3O3S2
MOLECULAR WEIGHT: 375.46518
SMILES: COC1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 7-methoxy-10-methyl-5-oxido-2-(1-piperidyl)benzo[g]pteridin-5-ium-4-one
CAS Name: 7-methoxy-10-methyl-5-oxido-2-(1-piperidinyl)-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 7-methoxy-10-methyl-5-oxido-2-piperidin-1-ylbenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7-methoxy-10-methyl-5-oxidanidyl-2-piperidin-1-yl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C17H19N5O3
MOLECULAR WEIGHT: 341.36446
SMILES: CN1C2=C(C=C(C=C2)OC)[N+](=C3C1=NC(=NC3=O)N4CCCCC4)[O-]
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-4-(2-thienylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylthio)-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C17H13F3N2O2S3
MOLECULAR WEIGHT: 430.48753
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CS3)C(F)(F)F
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Product OPENEYE NAME: N-[(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-tetradecanamide
CAS Name: N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
IUPAC NAME: N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
SYSTEMATIC NAME: N-methyl-N-[(1R,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: 4-benzylsulfinyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfinyl-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 4-benzylsulfinyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfinyl-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C19H15F3N2O3S2
MOLECULAR WEIGHT: 440.45921
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)S(=O)CC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 4-benzylsulfonyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfonyl-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 4-benzylsulfonyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(phenylmethyl)sulfonyl-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C19H15F3N2O4S2
MOLECULAR WEIGHT: 456.45861
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)S(=O)(=O)CC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 8-hydroxy-4-methyl-9-nitro-benzo[g]chromen-2-one
CAS Name: 8-hydroxy-4-methyl-9-nitro-2-benzo[g][1]benzopyranone
IUPAC NAME: 8-hydroxy-4-methyl-9-nitrobenzo[g]chromen-2-one
SYSTEMATIC NAME: 4-methyl-9-nitro-8-oxidanyl-benzo[g]chromen-2-one
MOLECULAR FORMULA: C14H9NO5
MOLECULAR WEIGHT: 271.22496
SMILES: CC1=CC(=O)OC2=C1C=C3C=CC(=C(C3=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: 4-benzylsulfanyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
CAS Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethylthio)-6-(trifluoromethyl)pyrimidine
IUPAC NAME: 4-benzylsulfanyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C19H15F3N2O2S2
MOLECULAR WEIGHT: 424.45981
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 3,8-dibromo-7-methoxy-4-methyl-chromen-2-one
CAS Name: 3,8-dibromo-7-methoxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 3,8-dibromo-7-methoxy-4-methylchromen-2-one
SYSTEMATIC NAME: 3,8-bis(bromanyl)-7-methoxy-4-methyl-chromen-2-one
MOLECULAR FORMULA: C11H8Br2O3
MOLECULAR WEIGHT: 347.98742
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2Br)OC)Br
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Product OPENEYE NAME: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 4-[[(8R,9S,13S,14S,16R)-3-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C27H31NO3
MOLECULAR WEIGHT: 417.53994
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)CC4=CC=C(C=C4)C(=O)N)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: 4-[[(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: 4-[[(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: 4-[[(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: 4-[[(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=C(C=C4)C(=O)N)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
CAS Name: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
IUPAC NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SYSTEMATIC NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
MOLECULAR FORMULA: C22H19F6NO3
MOLECULAR WEIGHT: 459.381579
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=CC=C4
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Product OPENEYE NAME: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: 5,8-dichloro-6,7-dihydroxy-N-octyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: 5,8-bis(chloranyl)-N-octyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C18H26Cl2N2O2S
MOLECULAR WEIGHT: 405.38224
SMILES: CCCCCCCCNC(=S)N1CCC2=C(C1)C(=C(C(=C2Cl)O)O)Cl
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Product OPENEYE NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
CAS Name: (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H29F6NO4
MOLECULAR WEIGHT: 533.503179
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(5-chlorobenzothiophen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridyl)-4-piperidyl]propanamide
CAS Name: 3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]propanamide
IUPAC NAME: 3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: 3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C23H26ClN3O3S2
MOLECULAR WEIGHT: 492.05384
SMILES: CC1=NC=CC(=C1)N2CCC(CC2)N(C)C(=O)CCS(=O)(=O)C3=CC4=C(S3)C=CC(=C4)Cl
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Product OPENEYE NAME: N-methyl-3-[(6-methyl-2-naphthyl)sulfonyl]-N-[1-(2-methyl-4-pyridyl)-4-piperidyl]propanamide
CAS Name: N-methyl-3-[(6-methyl-2-naphthalenyl)sulfonyl]-N-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]propanamide
IUPAC NAME: N-methyl-3-(6-methylnaphthalen-2-yl)sulfonyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: N-methyl-3-(6-methylnaphthalen-2-yl)sulfonyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C26H31N3O3S
MOLECULAR WEIGHT: 465.60764
SMILES: CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)CCC(=O)N(C)C3CCN(CC3)C4=CC(=NC=C4)C
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Product OPENEYE NAME: 4-(4-chlorophenyl)-1-(7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one
CAS Name: 4-(4-chlorophenyl)-1-(7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-butanone
IUPAC NAME: 4-(4-chlorophenyl)-1-(7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one
SYSTEMATIC NAME: 1-[7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-4-(4-chlorophenyl)butan-1-one
MOLECULAR FORMULA: C20H22ClNO3
MOLECULAR WEIGHT: 359.84658
SMILES: C1CC2=CC(=C(C=C2CN(C1)C(=O)CCCC3=CC=C(C=C3)Cl)O)O
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Product OPENEYE NAME: 3-bromo-N2-(2-morpholinoethyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[2-(4-morpholinyl)ethyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(2-morpholin-4-ylethyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(2-morpholin-4-ylethyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C19H21BrN6O
MOLECULAR WEIGHT: 429.31364
SMILES: C1COCCN1CCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-bromophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H82Br2N4O3
MOLECULAR WEIGHT: 1019.08328
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)Br)CC8=CC=C(C=C8)Br
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