Product OPENEYE NAME: 5-methyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 5-methyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 5-methyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 5-methyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H16F3N3O2S2
MOLECULAR WEIGHT: 427.46375
SMILES: CC1=C(N=C(N=C1NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F
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Product OPENEYE NAME: 3-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS Name: 3-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
IUPAC NAME: 3-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H18O10
MOLECULAR WEIGHT: 538.45792
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
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Product OPENEYE NAME: [(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-tetradecyl-ammonium chloride
CAS Name: [(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-tetradecylammonium chloride
IUPAC NAME: [(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-tetradecylazanium chloride
SYSTEMATIC NAME: [(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-tetradecyl-azanium chloride
MOLECULAR FORMULA: C23H41ClN2O4
MOLECULAR WEIGHT: 445.03564
SMILES: CCCCCCCCCCCCCC[NH2+][C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O.[Cl-]
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Product OPENEYE NAME: N-benzyl-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 5-methyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 5-methyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H18F3N3O2S
MOLECULAR WEIGHT: 421.43603
SMILES: CC1=C(N=C(N=C1NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F
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Product OPENEYE NAME: N-[[4-(methoxymethoxy)phenyl]methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[[4-(methoxymethoxy)phenyl]methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[[4-(methoxymethoxy)phenyl]methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[[4-(methoxymethoxy)phenyl]methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C21H20F3N3O4S
MOLECULAR WEIGHT: 467.46141
SMILES: COCOC1=CC=C(C=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-[(4-methoxyphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(4-methoxyphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(4-methoxyphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H18F3N3O3S
MOLECULAR WEIGHT: 437.43543
SMILES: COC1=CC=C(C=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 4-[4-(benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
CAS Name: 4-[4-(1-benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: 4-[4-(1-benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-(1-benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C20H15F3N4O2S2
MOLECULAR WEIGHT: 464.48391
SMILES: C1=CC=C2C(=C1)C(=CS2)CNC3=NC(=NC(=C3)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N
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Product OPENEYE NAME: N-(benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-(1-benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-(1-benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(1-benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C21H16F3N3O2S2
MOLECULAR WEIGHT: 463.49585
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CSC4=CC=CC=C43)C(F)(F)F
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Product OPENEYE NAME: 7-hydroxy-4-methyl-8-(p-tolylsulfonyl)chromen-2-one
CAS Name: 7-hydroxy-4-methyl-8-(4-methylphenyl)sulfonyl-1-benzopyran-2-one
IUPAC NAME: 7-hydroxy-4-methyl-8-(4-methylphenyl)sulfonylchromen-2-one
SYSTEMATIC NAME: 4-methyl-8-(4-methylphenyl)sulfonyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C17H14O5S
MOLECULAR WEIGHT: 330.35506
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC3=C2OC(=O)C=C3C)O
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Product OPENEYE NAME: N-(benzothiophen-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-(1-benzothiophen-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(1-benzothiophen-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C21H16F3N3O2S2
MOLECULAR WEIGHT: 463.49585
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC4=CC=CC=C4S3)C(F)(F)F
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Product OPENEYE NAME: (8E)-8-[(hydroxyamino)methylene]-4-methyl-chromene-2,7-dione
CAS Name: (8E)-8-[(hydroxyamino)methylidene]-4-methyl-1-benzopyran-2,7-dione
IUPAC NAME: (8E)-8-[(hydroxyamino)methylidene]-4-methylchromene-2,7-dione
SYSTEMATIC NAME: (8E)-4-methyl-8-[(oxidanylamino)methylidene]chromene-2,7-dione
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: CC1=CC(=O)OC\2=C1C=CC(=O)/C2=C/NO
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Product OPENEYE NAME: 3,6,8-tribromo-5,7-dihydroxy-4-methyl-chromen-2-one
CAS Name: 3,6,8-tribromo-5,7-dihydroxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 3,6,8-tribromo-5,7-dihydroxy-4-methylchromen-2-one
SYSTEMATIC NAME: 3,6,8-tris(bromanyl)-4-methyl-5,7-bis(oxidanyl)chromen-2-one
MOLECULAR FORMULA: C10H5Br3O4
MOLECULAR WEIGHT: 428.8563
SMILES: CC1=C(C(=O)OC2=C1C(=C(C(=C2Br)O)Br)O)Br
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Product OPENEYE NAME: methyl (2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-7-carboxylate
CAS Name: (2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3-benzoxazole-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-7-carboxylate
SYSTEMATIC NAME: methyl (2Z)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-7-carboxylate
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: COC(=O)C1=C2C(=CC=C1)N/C(=C/3\C=CC=CC3=O)/O2
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Product OPENEYE NAME: 3-bromo-7,8-dihydroxy-4-methyl-chromen-2-one
CAS Name: 3-bromo-7,8-dihydroxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 3-bromo-7,8-dihydroxy-4-methylchromen-2-one
SYSTEMATIC NAME: 3-bromanyl-4-methyl-7,8-bis(oxidanyl)chromen-2-one
MOLECULAR FORMULA: C10H7BrO4
MOLECULAR WEIGHT: 271.06418
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2O)O)Br
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Product OPENEYE NAME: 8-chloro-7-hydroxy-chromen-2-one
CAS Name: 8-chloro-7-hydroxy-1-benzopyran-2-one
IUPAC NAME: 8-chloro-7-hydroxychromen-2-one
SYSTEMATIC NAME: 8-chloranyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C9H5ClO3
MOLECULAR WEIGHT: 196.5872
SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)Cl)O
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Product OPENEYE NAME: methyl (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxylate
CAS Name: (2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3-benzoxazole-4-carboxylic acid methyl ester
IUPAC NAME: methyl (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxylate
SYSTEMATIC NAME: methyl (2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxylate
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: COC(=O)C1=C2C(=CC=C1)O/C(=C/3\C=CC=CC3=O)/N2
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Product OPENEYE NAME: tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Name: (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H28F7NO4
MOLECULAR WEIGHT: 551.493642
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CN([C@H]([C@@H]2C3=CC=C(C=C3)F)CO)C(=O)OC(C)(C)C
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Product OPENEYE NAME: [2-(6-hydrazinopurin-9-yl)cyclopent-3-en-1-yl]methanol
CAS Name: [2-(6-hydrazinyl-9-purinyl)-1-cyclopent-3-enyl]methanol
IUPAC NAME: [2-(6-hydrazinylpurin-9-yl)cyclopent-3-en-1-yl]methanol
SYSTEMATIC NAME: [2-(6-diazanylpurin-9-yl)cyclopent-3-en-1-yl]methanol
MOLECULAR FORMULA: C11H14N6O
MOLECULAR WEIGHT: 246.26846
SMILES: C1C=CC(C1CO)N2C=NC3=C2N=CN=C3NN
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Product OPENEYE NAME: amino 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)piperidine-4-carbonyl]amino]acetate
CAS Name: 2-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]acetic acid amino ester
IUPAC NAME: amino 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidine-4-carbonyl)amino]acetate
SYSTEMATIC NAME: azanyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoate
MOLECULAR FORMULA: C26H29ClN4O5S
MOLECULAR WEIGHT: 545.05026
SMILES: C1CN(CCC1C(=O)N(CCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)ON)C4=CC=NC=C4
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Product OPENEYE NAME: tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenyl-pyrrolidine-1-carboxylate
CAS Name: (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-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]2CN([C@H]([C@@H]2C3=CC=CC=C3)CO)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)piperidine-4-carbonyl]amino]acetic acid
CAS Name: 2-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]acetic acid
IUPAC NAME: 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidine-4-carbonyl)amino]acetic acid
SYSTEMATIC NAME: 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoic acid
MOLECULAR FORMULA: C26H28ClN3O5S
MOLECULAR WEIGHT: 530.03562
SMILES: C1CN(CCC1C(=O)N(CCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O)C4=CC=NC=C4
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