Product OPENEYE NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrothiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CAS Name: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-thiolanyl]-(4-methyl-1-piperazinyl)methanone
IUPAC NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxythiolan-2-yl]-(4-methylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [(2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)thiolan-2-yl]-(4-methylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C22H25ClIN7O3S
MOLECULAR WEIGHT: 629.90147
SMILES: CN1CCN(CC1)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,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-N-ethyl-3,4-dihydroxy-N-phenyl-tetrahydrothiophene-2-carboxamide
CAS Name: (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-N-ethyl-3,4-dihydroxy-N-phenyl-2-thiolanecarboxamide
IUPAC NAME: (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-N-ethyl-3,4-dihydroxy-N-phenylthiolane-2-carboxamide
SYSTEMATIC NAME: (2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)-N-phenyl-thiolane-2-carboxamide
MOLECULAR FORMULA: C25H24ClIN6O3S
MOLECULAR WEIGHT: 650.91893
SMILES: CCN(C1=CC=CC=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,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrothiophen-2-yl]-(1-piperidyl)methanone
CAS Name: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-thiolanyl]-(1-piperidinyl)methanone
IUPAC NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxythiolan-2-yl]-piperidin-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]-piperidin-1-yl-methanone
MOLECULAR FORMULA: C22H24ClIN6O3S
MOLECULAR WEIGHT: 614.88683
SMILES: C1CCN(CC1)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: (3R)-8-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-8-azaspiro[4.4]nonan-9-one
CAS Name: (3R)-8-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methyl-1'-spiro[indene-1,4'-piperidine]yl]-8-azaspiro[4.4]nonan-9-one
IUPAC NAME: (3R)-8-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-8-azaspiro[4.4]nonan-9-one
SYSTEMATIC NAME: (3R)-8-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-8-azaspiro[4.4]nonan-9-one
MOLECULAR FORMULA: C30H32F4N2O
MOLECULAR WEIGHT: 512.581493
SMILES: C[C@H]1CN(CC[C@@]12C=CC3=CC=CC=C23)[C@@H]4CCC5(C4)CCN(C5=O)CC6=CC(=CC(=C6)F)C(F)(F)F
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Product OPENEYE NAME: (1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-isopropyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentanecarboxamide
CAS Name: (1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methyl-1'-spiro[indene-1,4'-piperidine]yl]-1-propan-2-yl-1-cyclopentanecarboxamide
IUPAC NAME: (1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamide
SYSTEMATIC NAME: (1S,3R)-N-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-yl-cyclopentane-1-carboxamide
MOLECULAR FORMULA: C31H36F4N2O
MOLECULAR WEIGHT: 528.623953
SMILES: C[C@H]1CN(CC[C@@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@](C4)(C(C)C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-3-(3,5-dichloro-4-hydroxy-anilino)-2-hydroxy-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)-4-(3,5-dichloro-4-hydroxyanilino)-3-hydroxy-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)-4-(3,5-dichloro-4-hydroxyanilino)-3-hydroxy-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-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]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-pentan
MOLECULAR FORMULA: C32H43Cl2N5O8
MOLECULAR WEIGHT: 696.61852
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=C(C(=C2)Cl)O)Cl)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-3-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-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)-4-[3,5-bis(trifluoromethyl)anilino]-3-hydroxy-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)-4-[3,5-bis(trifluoromethyl)anilino]-3-hydroxy-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-[[3,5-bis(trifluoromethyl)phenyl]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 ac
MOLECULAR FORMULA: C34H43F6N5O7
MOLECULAR WEIGHT: 747.724939
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC(=C2)C(F)(F)F)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:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19N5O4
MOLECULAR WEIGHT: 369.37456
SMILES: C1COCCN1CCN2CC3=C(C2=O)N=C4C=C(NN4C3=O)C5=CC=CO5
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Product OPENEYE NAME: 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-propyl-benzimidazol-1-yl)ethanone
CAS Name: 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-propyl-1-benzimidazolyl)ethanone
IUPAC NAME: 1-(4-chlorophenyl)-2-(2-imino-3-methyl-4-propylbenzimidazol-1-yl)ethanone
SYSTEMATIC NAME: 2-(2-azanylidene-3-methyl-4-propyl-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
MOLECULAR FORMULA: C19H20ClN3O
MOLECULAR WEIGHT: 341.8346
SMILES: CCCC1=C2C(=CC=C1)N(C(=N)N2C)CC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N,N-diethyl-2-[(oxazol-2-ylmethylamino)methyl]-1-phenyl-cyclopropanecarboxamide
CAS Name: N,N-diethyl-2-[(2-oxazolylmethylamino)methyl]-1-phenyl-1-cyclopropanecarboxamide
IUPAC NAME: N,N-diethyl-2-[(1,3-oxazol-2-ylmethylamino)methyl]-1-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-2-[(1,3-oxazol-2-ylmethylamino)methyl]-1-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C19H25N3O2
MOLECULAR WEIGHT: 327.4207
SMILES: CCN(CC)C(=O)C1(CC1CNCC2=NC=CO2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-chloro-2-imino-3-methyl-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
CAS Name: 2-(4-chloro-2-imino-3-methyl-1-benzimidazolyl)-1-(4-chlorophenyl)ethanone
IUPAC NAME: 2-(4-chloro-2-imino-3-methylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
SYSTEMATIC NAME: 2-(2-azanylidene-4-chloranyl-3-methyl-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
MOLECULAR FORMULA: C16H13Cl2N3O
MOLECULAR WEIGHT: 334.19992
SMILES: CN1C2=C(C=CC=C2Cl)N(C1=N)CC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]morpholine
CAS Name: 4-[2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]morpholine
IUPAC NAME: 4-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]morpholine
SYSTEMATIC NAME: 4-[2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]morpholine
MOLECULAR FORMULA: C26H32N2O
MOLECULAR WEIGHT: 388.54508
SMILES: C1COCCN1CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5
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Product OPENEYE NAME: 2-[[3-(6-chloropurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline
CAS Name: 2-[[3-(6-chloro-7-purinyl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline
IUPAC NAME: 2-[[3-(6-chloropurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline
SYSTEMATIC NAME: 2-[[3-(6-chloranylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline
MOLECULAR FORMULA: C20H17ClN6O3S
MOLECULAR WEIGHT: 456.90538
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3N)N4C=NC5=C4C(=NC=N5)Cl
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Product OPENEYE NAME: 9H-fluoren-9-ylmethyl 3-(6-chloropurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate
CAS Name: 3-(6-chloro-7-purinyl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester
IUPAC NAME: 9H-fluoren-9-ylmethyl 3-(6-chloropurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate
SYSTEMATIC NAME: 9H-fluoren-9-ylmethyl 3-(6-chloranylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate
MOLECULAR FORMULA: C29H22ClN5O3
MOLECULAR WEIGHT: 523.96968
SMILES: C1C(OCC2=CC=CC=C2N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N6C=NC7=C6C(=NC=N7)Cl
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Product OPENEYE NAME: 3-(6-chloropurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CAS Name: 3-(6-chloro-7-purinyl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
IUPAC NAME: 3-(6-chloropurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
SYSTEMATIC NAME: 3-(6-chloranylpurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
MOLECULAR FORMULA: C20H15ClN6O5S
MOLECULAR WEIGHT: 486.8883
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=NC5=C4C(=NC=N5)Cl
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Product OPENEYE NAME: (2S)-2-[[isobutyl(2-phosphonoethyl)carbamoyl]amino]-3-(2-naphthyl)propanoic acid
CAS Name: (2S)-2-[[[2-methylpropyl(2-phosphonoethyl)amino]-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid
IUPAC NAME: (2S)-2-[[2-methylpropyl(2-phosphonoethyl)carbamoyl]amino]-3-naphthalen-2-ylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[2-methylpropyl(2-phosphonoethyl)carbamoyl]amino]-3-naphthalen-2-yl-propanoic acid
MOLECULAR FORMULA: C20H27N2O6P
MOLECULAR WEIGHT: 422.411941
SMILES: CC(C)CN(CCP(=O)(O)O)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O
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Product OPENEYE NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(1-piperidylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(1-piperidinylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(piperidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(piperidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C32H39FN4O2S
MOLECULAR WEIGHT: 562.741063
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)CN5CCCCC5)C=NN4C6=CC=C(C=C6)F
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Product OPENEYE NAME: (2S)-2-[[isobutyl(phosphonomethyl)carbamoyl]amino]-3-(2-naphthyl)propanoic acid
CAS Name: (2S)-2-[[[2-methylpropyl(phosphonomethyl)amino]-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid
IUPAC NAME: (2S)-2-[[2-methylpropyl(phosphonomethyl)carbamoyl]amino]-3-naphthalen-2-ylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[2-methylpropyl(phosphonomethyl)carbamoyl]amino]-3-naphthalen-2-yl-propanoic acid
MOLECULAR FORMULA: C19H25N2O6P
MOLECULAR WEIGHT: 408.385361
SMILES: CC(C)CN(CP(=O)(O)O)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O
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Product OPENEYE NAME: 2-(3,5-dimethoxyphenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-furyl)pyrimidin-4-yl]acetamide
CAS Name: 2-(3,5-dimethoxyphenyl)-N-[6-(3,5-dimethyl-1-pyrazolyl)-2-(5-methyl-2-furanyl)-4-pyrimidinyl]acetamide
IUPAC NAME: 2-(3,5-dimethoxyphenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]ethanamide
MOLECULAR FORMULA: C24H25N5O4
MOLECULAR WEIGHT: 447.4864
SMILES: CC1=CC=C(O1)C2=NC(=CC(=N2)NC(=O)CC3=CC(=CC(=C3)OC)OC)N4C(=CC(=N4)C)C
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Product OPENEYE NAME: methyl 2-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-3-carboxylate
CAS Name: 2-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-pyrimidinyl]methyl]-3-selenophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[4-butyl-2-methyl-6-oxidanylidene-5-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-3-carboxylate
MOLECULAR FORMULA: C30H30N6O3Se
MOLECULAR WEIGHT: 601.5576
SMILES: CCCCC1=C(C(=O)N(C(=N1)C)CC2=C(C=C[Se]2)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
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