Product OPENEYE NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrothiophen-2-yl]-pyrrolidin-1-yl-methanone
CAS Name: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-thiolanyl]-(1-pyrrolidinyl)methanone
IUPAC NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxythiolan-2-yl]-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: [(2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)thiolan-2-yl]-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C21H22ClIN6O3S
MOLECULAR WEIGHT: 600.86025
SMILES: C1CCN(C1)C(=O)[C@@H]2[C@H]([C@H]([C@@H](S2)N3C=NC4=C3N=C(N=C4NCC5=CC(=CC=C5)I)Cl)O)O
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Product OPENEYE NAME: azetidin-1-yl-[(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrothiophen-2-yl]methanone
CAS Name: 1-azetidinyl-[(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-thiolanyl]methanone
IUPAC NAME: azetidin-1-yl-[(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxythiolan-2-yl]methanone
SYSTEMATIC NAME: azetidin-1-yl-[(2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)thiolan-2-yl]methanone
MOLECULAR FORMULA: C20H20ClIN6O3S
MOLECULAR WEIGHT: 586.83367
SMILES: C1CN(C1)C(=O)[C@@H]2[C@H]([C@H]([C@@H](S2)N3C=NC4=C3N=C(N=C4NCC5=CC(=CC=C5)I)Cl)O)O
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Product OPENEYE NAME: (2S)-2-hydroxy-3-[N-methylsulfonyl-4-[[4-(trifluoromethyl)phenyl]methoxy]anilino]propanehydroxamic acid
CAS Name: (2S)-N,2-dihydroxy-3-[N-methylsulfonyl-4-[[4-(trifluoromethyl)phenyl]methoxy]anilino]propanamide
IUPAC NAME: (2S)-N,2-dihydroxy-3-[N-methylsulfonyl-4-[[4-(trifluoromethyl)phenyl]methoxy]anilino]propanamide
SYSTEMATIC NAME: (2S)-3-[methylsulfonyl-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]amino]-N,2-bis(oxidanyl)propanamide
MOLECULAR FORMULA: C18H19F3N2O6S
MOLECULAR WEIGHT: 448.41347
SMILES: CS(=O)(=O)N(C[C@@H](C(=O)NO)O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-[3-(2,2,2-trifluoroacetyl)anilino]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-oxo-1-phenyl-4-[3-(2,2,2-trifluoro-1-oxoethyl)anilino]butan-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-oxo-1-phenyl-4-[3-(2,2,2-trifluoroacetyl)anilino]butan-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)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-phenyl-4-[[3-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]butan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-penta
MOLECULAR FORMULA: C34H44F3N5O8
MOLECULAR WEIGHT: 707.73707
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC=CC(=C2)C(=O)C(F)(F)F)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-(3-nitroanilino)-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-(3-nitroanilino)-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-(3-nitroanilino)-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)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S,3R)-4-[(3-nitrophenyl)amino]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C32H44N6O9
MOLECULAR WEIGHT: 656.72656
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: (1R,3'R)-1'-[(3R,5S,9R)-9-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]-8-oxaspiro[4.4]nonan-3-yl]-3'-methyl-spiro[indene-1,4'-piperidine]
CAS Name: (1R,3'R)-1'-[(3R,5S,9R)-9-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]-8-oxaspiro[4.4]nonan-3-yl]-3'-methylspiro[indene-1,4'-piperidine]
IUPAC NAME: (1R,3'R)-1'-[(3R,5S,9R)-9-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]-8-oxaspiro[4.4]nonan-3-yl]-3'-methylspiro[indene-1,4'-piperidine]
SYSTEMATIC NAME: (1R,3'R)-1'-[(3R,5S,9R)-9-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methoxy]-8-oxaspiro[4.4]nonan-3-yl]-3'-methyl-spiro[indene-1,4'-piperidine]
MOLECULAR FORMULA: C30H33F4NO2
MOLECULAR WEIGHT: 515.582133
SMILES: C[C@H]1CN(CC[C@@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@]5(C4)CCO[C@@H]5OCC6=CC(=CC(=C6)F)C(F)(F)F
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Product OPENEYE NAME: N,N-diethyl-2-[(2-furylmethylamino)methyl]-1-phenyl-cyclopropanecarboxamide
CAS Name: N,N-diethyl-2-[(2-furanylmethylamino)methyl]-1-phenyl-1-cyclopropanecarboxamide
IUPAC NAME: N,N-diethyl-2-[(furan-2-ylmethylamino)methyl]-1-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-2-[(furan-2-ylmethylamino)methyl]-1-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CCN(CC)C(=O)C1(CC1CNCC2=CC=CO2)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(aminomethyl)-1-phenyl-cyclopropyl]-(azepan-1-yl)methanone
CAS Name: [2-(aminomethyl)-1-phenylcyclopropyl]-(1-azepanyl)methanone
IUPAC NAME: [2-(aminomethyl)-1-phenylcyclopropyl]-(azepan-1-yl)methanone
SYSTEMATIC NAME: [2-(aminomethyl)-1-phenyl-cyclopropyl]-(azepan-1-yl)methanone
MOLECULAR FORMULA: C17H24N2O
MOLECULAR WEIGHT: 272.38526
SMILES: C1CCCN(CC1)C(=O)C2(CC2CN)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-2-[2-imino-3-methyl-4-(trifluoromethyl)benzimidazol-1-yl]ethanone
CAS Name: 1-(4-chlorophenyl)-2-[2-imino-3-methyl-4-(trifluoromethyl)-1-benzimidazolyl]ethanone
IUPAC NAME: 1-(4-chlorophenyl)-2-[2-imino-3-methyl-4-(trifluoromethyl)benzimidazol-1-yl]ethanone
SYSTEMATIC NAME: 2-[2-azanylidene-3-methyl-4-(trifluoromethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone
MOLECULAR FORMULA: C17H13ClF3N3O
MOLECULAR WEIGHT: 367.75283
SMILES: CN1C2=C(C=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: N,N-diethyl-2-[(oxazol-5-ylmethylamino)methyl]-1-phenyl-cyclopropanecarboxamide
CAS Name: N,N-diethyl-2-[(5-oxazolylmethylamino)methyl]-1-phenyl-1-cyclopropanecarboxamide
IUPAC NAME: N,N-diethyl-2-[(1,3-oxazol-5-ylmethylamino)methyl]-1-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-2-[(1,3-oxazol-5-ylmethylamino)methyl]-1-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C19H25N3O2
MOLECULAR WEIGHT: 327.4207
SMILES: CCN(CC)C(=O)C1(CC1CNCC2=CN=CO2)C3=CC=CC=C3
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Product OPENEYE NAME: 9H-fluoren-9-ylmethyl 3-(6-oxo-3H-purin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate
CAS Name: 3-(6-oxo-3H-purin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester
IUPAC NAME: 9H-fluoren-9-ylmethyl 3-(6-oxo-3H-purin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate
SYSTEMATIC NAME: 9H-fluoren-9-ylmethyl 3-(6-oxidanylidene-3H-purin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate
MOLECULAR FORMULA: C29H23N5O4
MOLECULAR WEIGHT: 505.52402
SMILES: C1C(OCC2=CC=CC=C2N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N6C=NC7=C6C(=O)N=CN7
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Product OPENEYE NAME: benzyl 3-[4-[[1-[3-acetyl-4-(2-methoxy-2-oxo-ethoxy)phenyl]-2-(butylamino)-2-oxo-ethyl]-hexyl-amino]-4-oxo-butyl]-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidine-5-carboxylate
CAS Name: 3-[4-[[1-[3-acetyl-4-(2-methoxy-2-oxoethoxy)phenyl]-2-(butylamino)-2-oxoethyl]-hexylamino]-4-oxobutyl]-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-[4-[[1-[3-acetyl-4-(2-methoxy-2-oxoethoxy)phenyl]-2-(butylamino)-2-oxoethyl]-hexylamino]-4-oxobutyl]-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-[4-[[2-(butylamino)-1-[3-ethanoyl-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-2-oxidanylidene-ethyl]-hexyl-amino]-4-oxidanylidene-butyl]-4-methyl-2-oxidanylidene-6-(4-phenylphenyl)-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C52H62N4O9
MOLECULAR WEIGHT: 887.07008
SMILES: CCCCCCN(C(C1=CC(=C(C=C1)OCC(=O)OC)C(=O)C)C(=O)NCCCC)C(=O)CCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C
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Product OPENEYE NAME: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
CAS Name: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
IUPAC NAME: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
SYSTEMATIC NAME: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one
MOLECULAR FORMULA: C20H16N6O6S
MOLECULAR WEIGHT: 468.44264
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4C(=O)N=CN5
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