Product OPENEYE NAME: N-(3-chloro-4-methoxy-phenyl)-2-(4-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxamide
CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-3-pyridinecarboxamide
IUPAC NAME: N-(3-chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methoxy-phenyl)-2-[(4-chloranyl-2-methyl-phenyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C21H16Cl2F3N3O2
MOLECULAR WEIGHT: 470.27185
SMILES: CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)OC)Cl
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Product OPENEYE NAME: sodium (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoate
CAS Name: sodium (2S)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoate
IUPAC NAME: sodium (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoate
SYSTEMATIC NAME: sodium (2S)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoate
MOLECULAR FORMULA: C21H35NaO13
MOLECULAR WEIGHT: 518.48457
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](C)C(=O)[O-])O)O)O)O.[Na+]
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Product OPENEYE NAME: (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoic acid
CAS Name: (2S)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoic acid
IUPAC NAME: (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoic acid
MOLECULAR FORMULA: C21H36O13
MOLECULAR WEIGHT: 496.50274
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](C)C(=O)O)O)O)O)O
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Product OPENEYE NAME: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]ethyl]tetradecanamide bromide
CAS Name: N-[(1R,2R)-1,3-dihydroxy-1-[4-[[1-oxo-6-(1-pyridin-1-iumyl)hexyl]amino]phenyl]propan-2-yl]tetradecanamide bromide
IUPAC NAME: N-[(1R,2R)-1,3-dihydroxy-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide bromide
SYSTEMATIC NAME: N-[(1R,2R)-1,3-bis(oxidanyl)-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide bromide
MOLECULAR FORMULA: C34H54BrN3O4
MOLECULAR WEIGHT: 648.71426
SMILES: CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)NC(=O)CCCCC[N+]2=CC=CC=C2)O.[Br-]
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Product OPENEYE NAME: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]ethyl]tetradecanamide
CAS Name: N-[(1R,2R)-1,3-dihydroxy-1-[4-[[1-oxo-6-(1-pyridin-1-iumyl)hexyl]amino]phenyl]propan-2-yl]tetradecanamide
IUPAC NAME: N-[(1R,2R)-1,3-dihydroxy-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide
SYSTEMATIC NAME: N-[(1R,2R)-1,3-bis(oxidanyl)-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide
MOLECULAR FORMULA: C34H54N3O4+
MOLECULAR WEIGHT: 568.81026
SMILES: CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)NC(=O)CCCCC[N+]2=CC=CC=C2)O
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Product OPENEYE NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H19N3O4S3
MOLECULAR WEIGHT: 437.55616
SMILES: CCS(=O)(=O)C1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 1-dodecyl-3-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]urea
CAS Name: 1-dodecyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
IUPAC NAME: 1-dodecyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
SYSTEMATIC NAME: 1-dodecyl-3-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]urea
MOLECULAR FORMULA: C22H38N2O2
MOLECULAR WEIGHT: 362.54932
SMILES: CCCCCCCCCCCCNC(=O)N[C@@H](C)[C@@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: N-benzyl-6-ethylsulfonyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-6-ethylsulfonyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H21N3O4S2
MOLECULAR WEIGHT: 431.52844
SMILES: CCS(=O)(=O)C1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-(ethylthio)-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H19N3O2S3
MOLECULAR WEIGHT: 405.55736
SMILES: CCSC1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H15F4N3O2S
MOLECULAR WEIGHT: 425.399913
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(C=C3)F)C(F)(F)F
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Product OPENEYE NAME: 1-dodecyl-3-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]urea
CAS Name: 1-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea
IUPAC NAME: 1-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea
SYSTEMATIC NAME: 1-dodecyl-3-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]urea
MOLECULAR FORMULA: C22H37N3O5
MOLECULAR WEIGHT: 423.54628
SMILES: CCCCCCCCCCCCNC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
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Product OPENEYE NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CAS Name: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
IUPAC NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SYSTEMATIC NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
MOLECULAR FORMULA: C23H21F7N2O2
MOLECULAR WEIGHT: 490.413862
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)CN(C3=O)C
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Product OPENEYE NAME: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxo-undecyl]-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxoundecyl]-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxoundecyl]-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxidanylidene-undecyl]-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C42H62N2O4
MOLECULAR WEIGHT: 658.95268
SMILES: CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4C[C@@H]([C@@H]([C@]4(CC3)C)O)CC5=CC=CC(=C5)C(=O)N
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Product OPENEYE NAME: N-[2-(4-tert-butylphenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
IUPAC NAME: N-[2-(4-tert-butylphenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenyl)ethyl]-7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
MOLECULAR FORMULA: C23H30N2O2S
MOLECULAR WEIGHT: 398.5615
SMILES: CC(C)(C)C1=CC=C(C=C1)CCNC(=S)N2CCCC3=CC(=C(C=C3C2)O)O
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