Product OPENEYE NAME: (2S,3S,4R,5R)-5-[2-chloro-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide
CAS Name: (2S,3S,4R,5R)-5-[2-chloro-6-(cyclopropylmethylamino)-9-purinyl]-3,4-dihydroxy-N,N-dimethyl-2-thiolanecarboxamide
IUPAC NAME: (2S,3S,4R,5R)-5-[2-chloro-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-N,N-dimethylthiolane-2-carboxamide
SYSTEMATIC NAME: (2S,3S,4R,5R)-5-[2-chloranyl-6-(cyclopropylmethylamino)purin-9-yl]-N,N-dimethyl-3,4-bis(oxidanyl)thiolane-2-carboxamide
MOLECULAR FORMULA: C16H21ClN6O3S
MOLECULAR WEIGHT: 412.89434
SMILES: CN(C)C(=O)[C@@H]1[C@H]([C@H]([C@@H](S1)N2C=NC3=C2N=C(N=C3NCC4CC4)Cl)O)O
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-2-phenyl-imidazole-4-carboxamidine
CAS Name: 1-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-2-phenyl-4-imidazolecarboximidamide
IUPAC NAME: 1-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-2-phenylimidazole-4-carboximidamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-2-phenyl-imidazole-4-carboximidamide
MOLECULAR FORMULA: C23H18Cl2N4O2S
MOLECULAR WEIGHT: 485.38562
SMILES: CN=C(C1=CN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2S,3S,4R,5R)-5-[2-chloro-6-(2-methoxyethylamino)purin-9-yl]-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide
CAS Name: (2S,3S,4R,5R)-5-[2-chloro-6-(2-methoxyethylamino)-9-purinyl]-3,4-dihydroxy-N,N-dimethyl-2-thiolanecarboxamide
IUPAC NAME: (2S,3S,4R,5R)-5-[2-chloro-6-(2-methoxyethylamino)purin-9-yl]-3,4-dihydroxy-N,N-dimethylthiolane-2-carboxamide
SYSTEMATIC NAME: (2S,3S,4R,5R)-5-[2-chloranyl-6-(2-methoxyethylamino)purin-9-yl]-N,N-dimethyl-3,4-bis(oxidanyl)thiolane-2-carboxamide
MOLECULAR FORMULA: C15H21ClN6O4S
MOLECULAR WEIGHT: 416.88304
SMILES: CN(C)C(=O)[C@@H]1[C@H]([C@H]([C@@H](S1)N2C=NC3=C2N=C(N=C3NCCOC)Cl)O)O
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Product OPENEYE NAME: (2S,3S,4R,5R)-5-[2-chloro-6-(cyclopropylamino)purin-9-yl]-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide
CAS Name: (2S,3S,4R,5R)-5-[2-chloro-6-(cyclopropylamino)-9-purinyl]-3,4-dihydroxy-N,N-dimethyl-2-thiolanecarboxamide
IUPAC NAME: (2S,3S,4R,5R)-5-[2-chloro-6-(cyclopropylamino)purin-9-yl]-3,4-dihydroxy-N,N-dimethylthiolane-2-carboxamide
SYSTEMATIC NAME: (2S,3S,4R,5R)-5-[2-chloranyl-6-(cyclopropylamino)purin-9-yl]-N,N-dimethyl-3,4-bis(oxidanyl)thiolane-2-carboxamide
MOLECULAR FORMULA: C15H19ClN6O3S
MOLECULAR WEIGHT: 398.86776
SMILES: CN(C)C(=O)[C@@H]1[C@H]([C@H]([C@@H](S1)N2C=NC3=C2N=C(N=C3NC4CC4)Cl)O)O
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MOLECULAR FORMULA: C21H18N4O5
MOLECULAR WEIGHT: 406.39142
SMILES: COC1=CC(=CC(=C1)CN2CC3=C(C2=O)N=C4C=C(NN4C3=O)C5=CC=CO5)OC
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Product OPENEYE NAME: (2S)-3-[4-[(4-fluorophenyl)methoxy]-N-methylsulfonyl-anilino]-2-hydroxy-propanehydroxamic acid
CAS Name: (2S)-3-[4-[(4-fluorophenyl)methoxy]-N-methylsulfonylanilino]-N,2-dihydroxypropanamide
IUPAC NAME: (2S)-3-[4-[(4-fluorophenyl)methoxy]-N-methylsulfonylanilino]-N,2-dihydroxypropanamide
SYSTEMATIC NAME: (2S)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]-methylsulfonyl-amino]-N,2-bis(oxidanyl)propanamide
MOLECULAR FORMULA: C17H19FN2O6S
MOLECULAR WEIGHT: 398.405963
SMILES: CS(=O)(=O)N(C[C@@H](C(=O)NO)O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-thiazole-5-carboxylic acid
CAS Name: 2-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]amino]-4-methyl-5-thiazolecarboxylic acid
IUPAC NAME: 2-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 2-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C31H44N6O9S
MOLECULAR WEIGHT: 676.78086
SMILES: CC1=C(SC(=N1)NC(=O)[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N)O)C(=O)O
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MOLECULAR FORMULA: C20H16N4O4
MOLECULAR WEIGHT: 376.36544
SMILES: COC1=CC=CC(=C1)CN2CC3=C(C2=O)N=C4C=C(NN4C3=O)C5=CC=CO5
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Product OPENEYE NAME: 2-(N-methylsulfonyl-4-phenoxy-anilino)ethanehydroxamic acid
CAS Name: N-hydroxy-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
IUPAC NAME: N-hydroxy-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SYSTEMATIC NAME: 2-[methylsulfonyl-(4-phenoxyphenyl)amino]-N-oxidanyl-ethanamide
MOLECULAR FORMULA: C15H16N2O5S
MOLECULAR WEIGHT: 336.36294
SMILES: CS(=O)(=O)N(CC(=O)NO)C1=CC=C(C=C1)OC2=CC=CC=C2
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-(2-hydroxyanilino)-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-4-(2-hydroxyanilino)-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
IUPAC NAME: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-4-(2-hydroxyanilino)-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-4-[(2-hydroxyphenyl)amino]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C32H45N5O8
MOLECULAR WEIGHT: 627.7284
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC=CC=C2O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: 2-(aminomethyl)-N-ethyl-N,1-diphenyl-cyclopropanecarboxamide
CAS Name: 2-(aminomethyl)-N-ethyl-N,1-diphenyl-1-cyclopropanecarboxamide
IUPAC NAME: 2-(aminomethyl)-N-ethyl-N,1-diphenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: 2-(aminomethyl)-N-ethyl-N,1-diphenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: CCN(C1=CC=CC=C1)C(=O)C2(CC2CN)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(aminomethyl)-N-benzyl-N-ethyl-1-phenyl-cyclopropanecarboxamide
CAS Name: 2-(aminomethyl)-N-ethyl-1-phenyl-N-(phenylmethyl)-1-cyclopropanecarboxamide
IUPAC NAME: 2-(aminomethyl)-N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: 2-(aminomethyl)-N-ethyl-1-phenyl-N-(phenylmethyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CCN(CC1=CC=CC=C1)C(=O)C2(CC2CN)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-2-(2-imino-3,5-dimethyl-benzimidazol-1-yl)ethanone
CAS Name: 1-(4-chlorophenyl)-2-(2-imino-3,5-dimethyl-1-benzimidazolyl)ethanone
IUPAC NAME: 1-(4-chlorophenyl)-2-(2-imino-3,5-dimethylbenzimidazol-1-yl)ethanone
SYSTEMATIC NAME: 2-(2-azanylidene-3,5-dimethyl-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
MOLECULAR FORMULA: C17H16ClN3O
MOLECULAR WEIGHT: 313.78144
SMILES: CC1=CC2=C(C=C1)N(C(=N)N2C)CC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[(cyclopentylmethylamino)methyl]-N,N-diethyl-1-phenyl-cyclopropanecarboxamide
CAS Name: 2-[(cyclopentylmethylamino)methyl]-N,N-diethyl-1-phenyl-1-cyclopropanecarboxamide
IUPAC NAME: 2-[(cyclopentylmethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: 2-[(cyclopentylmethylamino)methyl]-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C21H32N2O
MOLECULAR WEIGHT: 328.49158
SMILES: CCN(CC)C(=O)C1(CC1CNCC2CCCC2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[4-[2-(azetidin-1-yl)ethyl]phenyl]-2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 4-[4-[2-(1-azetidinyl)ethyl]phenyl]-2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 4-[4-[2-(azetidin-1-yl)ethyl]phenyl]-2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 4-[4-[2-(azetidin-1-yl)ethyl]phenyl]-2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C25H30N2
MOLECULAR WEIGHT: 358.5191
SMILES: C1CN(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5
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Product OPENEYE NAME: benzyl N-(2-hydroxy-5-phenyl-phenyl)carbamate
CAS Name: N-(2-hydroxy-5-phenylphenyl)carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-(2-hydroxy-5-phenylphenyl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(2-oxidanyl-5-phenyl-phenyl)carbamate
MOLECULAR FORMULA: C20H17NO3
MOLECULAR WEIGHT: 319.35388
SMILES: C1=CC=C(C=C1)COC(=O)NC2=C(C=CC(=C2)C3=CC=CC=C3)O
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Product OPENEYE NAME: 3-[[(3R)-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]-3-phenyl-propanoyl]amino]propanoic acid
CAS Name: 3-[[(3R)-3-[[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid
IUPAC NAME: 3-[[(3R)-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]-3-phenylpropanoyl]amino]propanoic acid
SYSTEMATIC NAME: 3-[[(3R)-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoylamino]-3-phenyl-propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C30H35BrN4O7
MOLECULAR WEIGHT: 643.5255
SMILES: CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)N[C@H](CC(=O)NCCC(=O)O)C3=CC=CC=C3)C
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MOLECULAR FORMULA: C22H19FN4O8
MOLECULAR WEIGHT: 486.406663
SMILES: CC1COC2=C(C(=C(C3=C2N1C=C(C3=O)C(=O)O)[N+](=O)[O-])F)N4CCN(CC4)C(=O)C5=CC=CO5
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MOLECULAR FORMULA: C25H24FN3O6
MOLECULAR WEIGHT: 481.472963
SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)F)C(=O)O
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Product OPENEYE NAME: N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]tetradecanamide
CAS Name: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
IUPAC NAME: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
SYSTEMATIC NAME: N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]tetradecanamide
MOLECULAR FORMULA: C23H39NO2
MOLECULAR WEIGHT: 361.56126
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: (4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(1-pyrrolidinylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-1-(4-fluorophenyl)-6-(phenylsulfonyl)-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C27H29FN4O2S
MOLECULAR WEIGHT: 492.608163
SMILES: C1CCN(C1)C[C@]23CC4=C(C=C2CCN(C3)S(=O)(=O)C5=CC=CC=C5)N(N=C4)C6=CC=C(C=C6)F
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Product OPENEYE NAME: 4-chloro-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: 4-chloro-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: 4-chloro-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C16H11ClN4O3S2
MOLECULAR WEIGHT: 406.86654
SMILES: C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: (2S)-2-[[[(2S)-2-carboxy-2-hydroxy-ethyl]-(9H-fluoren-2-ylmethyl)carbamoyl]amino]-3-(2-naphthyl)propanoic acid
CAS Name: (2S)-2-[[[[(2S)-2-carboxy-2-hydroxyethyl]-(9H-fluoren-2-ylmethyl)amino]-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid
IUPAC NAME: (2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-(9H-fluoren-2-ylmethyl)carbamoyl]amino]-3-naphthalen-2-ylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[[(2S)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]-(9H-fluoren-2-ylmethyl)carbamoyl]amino]-3-naphthalen-2-yl-propanoic acid
MOLECULAR FORMULA: C31H28N2O6
MOLECULAR WEIGHT: 524.56382
SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)CN(C[C@@H](C(=O)O)O)C(=O)N[C@@H](CC4=CC5=CC=CC=C5C=C4)C(=O)O
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Product OPENEYE NAME: (4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C24H24FN3O3S
MOLECULAR WEIGHT: 453.529063
SMILES: C[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)OC)N(N=C3)C5=CC=C(C=C5)F
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