Product OPENEYE NAME: 1-[(2S,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]azetidin-1-yl]hexacosan-1-one
CAS Name: 1-[(2S,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-azetidinyl]-1-hexacosanone
IUPAC NAME: 1-[(2S,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]azetidin-1-yl]hexacosan-1-one
SYSTEMATIC NAME: 1-[(2S,3R,4S)-2-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-oxidanyl-4-tetradecyl-azetidin-1-yl]hexacosan-1-one
MOLECULAR FORMULA: C50H97NO8
MOLECULAR WEIGHT: 840.30708
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1[C@H]([C@H]([C@@H]1CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CCCCCCCCCCCCCC
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Product OPENEYE NAME: 1-[(2R,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]azetidin-1-yl]hexacosan-1-one
CAS Name: 1-[(2R,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-azetidinyl]-1-hexacosanone
IUPAC NAME: 1-[(2R,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]azetidin-1-yl]hexacosan-1-one
SYSTEMATIC NAME: 1-[(2S,3R,4R)-2-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-oxidanyl-4-tetradecyl-azetidin-1-yl]hexacosan-1-one
MOLECULAR FORMULA: C50H97NO8
MOLECULAR WEIGHT: 840.30708
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1[C@@H]([C@H]([C@@H]1CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CCCCCCCCCCCCCC
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Product OPENEYE NAME: N-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]-N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CAS Name: N-[2-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-N-methyl-2-(2-nitro-1-imidazolyl)acetamide
IUPAC NAME: N-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N-methyl-2-(2-nitroimidazol-1-yl)acetamide
SYSTEMATIC NAME: N-[2-[(2R,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyethyl]-N-methyl-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C16H25N5O9
MOLECULAR WEIGHT: 431.3978
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCN(C)C(=O)CN2C=CN=C2[N+](=O)[O-])CO)O)O
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Product OPENEYE NAME: 7-methoxy-2-morpholino-1H-benzo[g]pteridin-4-one
CAS Name: 7-methoxy-2-(4-morpholinyl)-1H-benzo[g]pteridin-4-one
IUPAC NAME: 7-methoxy-2-morpholin-4-yl-1H-benzo[g]pteridin-4-one
SYSTEMATIC NAME: 7-methoxy-2-morpholin-4-yl-1H-benzo[g]pteridin-4-one
MOLECULAR FORMULA: C15H15N5O3
MOLECULAR WEIGHT: 313.3113
SMILES: COC1=CC2=C(C=C1)N=C3C(=N2)C(=O)N=C(N3)N4CCOCC4
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Product OPENEYE NAME: 7-methyl-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
CAS Name: 7-methyl-2-(methylthio)-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
IUPAC NAME: 7-methyl-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7-methyl-2-methylsulfanyl-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C12H10N4O2S
MOLECULAR WEIGHT: 274.2984
SMILES: CC1=CC2=C(C=C1)N=C3C(=[N+]2[O-])C(=O)N=C(N3)SC
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Product OPENEYE NAME: N-benzyl-6-methoxy-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-6-methoxy-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-methoxy-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H19N3O3S
MOLECULAR WEIGHT: 369.43746
SMILES: COC1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 7,9-dimethyl-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
CAS Name: 7,9-dimethyl-2-(methylthio)-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
IUPAC NAME: 7,9-dimethyl-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7,9-dimethyl-2-methylsulfanyl-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C13H12N4O2S
MOLECULAR WEIGHT: 288.32498
SMILES: CC1=CC(=C2C(=C1)[N+](=C3C(=N2)NC(=NC3=O)SC)[O-])C
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Product OPENEYE NAME: 7-methoxy-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
CAS Name: 7-methoxy-2-(methylthio)-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
IUPAC NAME: 7-methoxy-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7-methoxy-2-methylsulfanyl-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C12H10N4O3S
MOLECULAR WEIGHT: 290.2978
SMILES: COC1=CC2=C(C=C1)N=C3C(=[N+]2[O-])C(=O)N=C(N3)SC
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Product OPENEYE NAME: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H23N3O2S2
MOLECULAR WEIGHT: 401.54552
SMILES: CC(C)(C)C1=CC(=NC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)NCC3=CC=CS3
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Product OPENEYE NAME: N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-tetradecanamide
CAS Name: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
IUPAC NAME: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
SYSTEMATIC NAME: N-methyl-N-[(1S,2S)-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: N-(4-isopropylphenyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(4-propan-2-ylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C21H20F3N3O2S
MOLECULAR WEIGHT: 435.46261
SMILES: CC(C)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 7,8,10-trimethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 7,8,10-trimethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 7,8,10-trimethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 7,8,10-trimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C14H14N4O2S
MOLECULAR WEIGHT: 302.35156
SMILES: CC1=CC2=C(C=C1C)[N+](=C3C(=NC(=NC3=O)SC)N2C)[O-]
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-phenyl-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H14F3N3O2S
MOLECULAR WEIGHT: 393.38287
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 3,6-dibromo-7-methoxy-4-methyl-chromen-2-one
CAS Name: 3,6-dibromo-7-methoxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 3,6-dibromo-7-methoxy-4-methylchromen-2-one
SYSTEMATIC NAME: 3,6-bis(bromanyl)-7-methoxy-4-methyl-chromen-2-one
MOLECULAR FORMULA: C11H8Br2O3
MOLECULAR WEIGHT: 347.98742
SMILES: CC1=C(C(=O)OC2=CC(=C(C=C12)Br)OC)Br
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Product OPENEYE NAME: (E)-N-[2-amino-5-(2-thienyl)phenyl]-3-[4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CAS Name: (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(3,4,5-trimethoxyanilino)methyl]phenyl]-2-propenamide
IUPAC NAME: (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-(2-azanyl-5-thiophen-2-yl-phenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)amino]methyl]phenyl]prop-2-enamide
MOLECULAR FORMULA: C29H29N3O4S
MOLECULAR WEIGHT: 515.62326
SMILES: COC1=CC(=CC(=C1OC)OC)NCC2=CC=C(C=C2)/C=C/C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N
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Product OPENEYE NAME: 4-[[(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: 4-[[(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: 4-[[(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: 4-[[(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=C(C=C4)C(=O)N)CCC5=C3C=CC(=C5)O
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Product OPENEYE NAME: N-methyl-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-amine
CAS Name: N-methyl-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]-1-butanamine
IUPAC NAME: N-methyl-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-amine
SYSTEMATIC NAME: N-methyl-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-amine
MOLECULAR FORMULA: C13H22N4OS
MOLECULAR WEIGHT: 282.40498
SMILES: CNCCCCOC1=NSN=C1C2=CCCN(C2)C
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Product OPENEYE NAME: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
CAS Name: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
IUPAC NAME: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SYSTEMATIC NAME: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(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]2CN3[C@@H]([C@@H]2C4=CC=C(C=C4)F)COC3=O
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Product OPENEYE NAME: 7,8-dihydroxy-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
CAS Name: 7,8-dihydroxy-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
IUPAC NAME: 7,8-dihydroxy-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
SYSTEMATIC NAME: 7,8-bis(oxidanyl)-N-(3-phenylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
MOLECULAR FORMULA: C20H24N2O2S
MOLECULAR WEIGHT: 356.48176
SMILES: C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCCC3=CC=CC=C3)O)O
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Product OPENEYE NAME: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
CAS Name: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
IUPAC NAME: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SYSTEMATIC NAME: (6R,7S,7aS)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-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]2CN3[C@@H]([C@@H]2C4=CC=CC=C4)COC3=O
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Product OPENEYE NAME: 3-[(7-chloro-2-naphthyl)sulfonyl]-N-methyl-N-[1-(2-methyl-4-pyridyl)-4-piperidyl]propanamide
CAS Name: 3-[(7-chloro-2-naphthalenyl)sulfonyl]-N-methyl-N-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]propanamide
IUPAC NAME: 3-(7-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: 3-(7-chloranylnaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C25H28ClN3O3S
MOLECULAR WEIGHT: 486.02612
SMILES: CC1=NC=CC(=C1)N2CCC(CC2)N(C)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=CC(=C4)Cl
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Product OPENEYE NAME: 3-[(5-chloro-2-naphthyl)sulfonyl]-N-methyl-N-[1-(2-methyl-4-pyridyl)-4-piperidyl]propanamide
CAS Name: 3-[(5-chloro-2-naphthalenyl)sulfonyl]-N-methyl-N-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]propanamide
IUPAC NAME: 3-(5-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: 3-(5-chloranylnaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C25H28ClN3O3S
MOLECULAR WEIGHT: 486.02612
SMILES: CC1=NC=CC(=C1)N2CCC(CC2)N(C)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C(=CC=C4)Cl
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Product OPENEYE NAME: (4S,5S)-4,5-dihydroxy-2-oxo-6-phosphonooxy-hexanoic acid
CAS Name: (4S,5S)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexanoic acid
IUPAC NAME: (4S,5S)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexanoic acid
SYSTEMATIC NAME: (4S,5S)-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonooxy-hexanoic acid
MOLECULAR FORMULA: C6H11O9P
MOLECULAR WEIGHT: 258.119901
SMILES: C([C@@H]([C@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19N3O
MOLECULAR WEIGHT: 305.37366
SMILES: C[C@@H](C1=CC=CC=C1)NC2=CC3=NCCC4=CN(C(=C43)C2=O)C
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