Product OPENEYE NAME: tert-butyl N-[(1S)-1-[2-[[4-[2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]-3-methylsulfanyl-propyl]carbamate
CAS Name: N-[(2S)-1-[2-[[4-[2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethylamino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2S)-1-[2-[[4-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[2-[[4-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C38H54N6O8S2
MOLECULAR WEIGHT: 787.00076
SMILES: CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 9H-fluoren-9-ylmethyl N-[(1S)-2-[2-[[4-[2-[[(2S)-3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylamino]-1-(tert-butoxymethyl)-2-oxo-ethyl]carbamate
CAS Name: N-[(2S)-1-[2-[[4-[2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl
IUPAC NAME: 9H-fluoren-9-ylmethyl N-[(2S)-1-[2-[[4-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: 9H-fluoren-9-ylmethyl N-[(2S)-1-[2-[[4-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-
MOLECULAR FORMULA: C62H66N6O10
MOLECULAR WEIGHT: 1055.22164
SMILES: CC(C)(C)OC[C@@H](C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)[C@H](COC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)C6=CC=CC=C6C2=O)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79
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Product OPENEYE NAME: 4-[2-[1-benzhydryl-5-chloro-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
CAS Name: 4-[2-[5-chloro-1-(diphenylmethyl)-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]-3-indolyl]ethoxy]benzoic acid
IUPAC NAME: 4-[2-[1-benzhydryl-5-chloro-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
SYSTEMATIC NAME: 4-[2-[5-chloranyl-1-(diphenylmethyl)-2-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
MOLECULAR FORMULA: C39H35ClN2O6S
MOLECULAR WEIGHT: 695.223
SMILES: COC1=CC=CC=C1S(=O)(=O)NCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CCOC6=CC=C(C=C6)C(=O)O
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Product OPENEYE NAME: 1-[(4-phenyl-2-thienyl)methyl]imidazole
CAS Name: 1-[(4-phenyl-2-thiophenyl)methyl]imidazole
IUPAC NAME: 1-[(4-phenylthiophen-2-yl)methyl]imidazole
SYSTEMATIC NAME: 1-[(4-phenylthiophen-2-yl)methyl]imidazole
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: C1=CC=C(C=C1)C2=CSC(=C2)CN3C=CN=C3
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Product OPENEYE NAME: 1-acetyl-4-phenyl-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
CAS Name: 1-acetyl-4-phenyl-3-(3,4,5-trimethoxyphenyl)-2-imidazolone
IUPAC NAME: 1-acetyl-4-phenyl-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
SYSTEMATIC NAME: 1-ethanoyl-4-phenyl-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
MOLECULAR FORMULA: C20H20N2O5
MOLECULAR WEIGHT: 368.3832
SMILES: CC(=O)N1C=C(N(C1=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3
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Product OPENEYE NAME: (4R)-5-chloro-N-(2,2-difluoroethyl)-4-methyl-1,4-dihydroquinazolin-2-amine
CAS Name: (4R)-5-chloro-N-(2,2-difluoroethyl)-4-methyl-1,4-dihydroquinazolin-2-amine
IUPAC NAME: (4R)-5-chloro-N-(2,2-difluoroethyl)-4-methyl-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: (4R)-N-[2,2-bis(fluoranyl)ethyl]-5-chloranyl-4-methyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C11H12ClF2N3
MOLECULAR WEIGHT: 259.682886
SMILES: C[C@@H]1C2=C(C=CC=C2Cl)NC(=N1)NCC(F)F
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Product OPENEYE NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] octanedioate
CAS Name: octanedioic acid bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] ester
IUPAC NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] octanedioate
SYSTEMATIC NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] octanedioate
MOLECULAR FORMULA: C38H48Cl4N2O4
MOLECULAR WEIGHT: 738.61072
SMILES: CN1C2CCC1[C@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)COC(=O)CCCCCCC(=O)OC[C@H]4[C@H](CC5CCC4N5C)C6=CC(=C(C=C6)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: C[C@H]1C2CC3=C([C@]1(CCN2CCCC(=O)O)C)C=C(C=C3)O
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Product OPENEYE NAME: 1-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]-3-(3-morpholinopropylamino)propan-2-ol
CAS Name: 1-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-3-[3-(4-morpholinyl)propylamino]-2-propanol
IUPAC NAME: 1-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-3-(3-morpholin-4-ylpropylamino)propan-2-ol
SYSTEMATIC NAME: 1-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]-3-(3-morpholin-4-ylpropylamino)propan-2-ol
MOLECULAR FORMULA: C28H36N2O4S
MOLECULAR WEIGHT: 496.66144
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CNCCCN3CCOCC3)O)C4=CC=CS4
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Product OPENEYE NAME: 1-(4-benzylpiperazin-1-yl)-3-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]propan-2-ol
CAS Name: 1-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol
IUPAC NAME: 1-(4-benzylpiperazin-1-yl)-3-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C32H36N2O3S
MOLECULAR WEIGHT: 528.70484
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)C5=CC=CS5
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Product OPENEYE NAME: (E)-2-(5-chloro-2-thienyl)-N-[1-[4-[5-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]prop-1-ene-1-sulfonamide
CAS Name: (E)-2-(5-chloro-2-thiophenyl)-N-[1-[4-[5-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]-1-propene-1-sulfonamide
IUPAC NAME: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[4-[5-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]prop-1-ene-1-sulfonamide
SYSTEMATIC NAME: (E)-2-(5-chloranylthiophen-2-yl)-N-[1-[4-[5-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]prop-1-ene-1-sulfonamide
MOLECULAR FORMULA: C23H25ClFN5O3S2
MOLECULAR WEIGHT: 538.057703
SMILES: C/C(=C\S(=O)(=O)NC1CCN(C1=O)C2=C(C=C(C=C2)N3C=NC=C3CN(C)C)F)/C4=CC=C(S4)Cl
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Product OPENEYE NAME: 1-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol
CAS Name: 1-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol
IUPAC NAME: 1-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C30H33N3O3S
MOLECULAR WEIGHT: 515.66632
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=N4)O)C5=CC=CS5
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Product OPENEYE NAME: 3-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]-1H-indole-5-sulfonamide
CAS Name: 3-chloro-N-[1-[4-[2-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]-1H-indole-5-sulfonamide
IUPAC NAME: 3-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]-1H-indole-5-sulfonamide
SYSTEMATIC NAME: 3-chloranyl-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]-1H-indole-5-sulfonamide
MOLECULAR FORMULA: C24H24ClFN6O3S
MOLECULAR WEIGHT: 531.002163
SMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)NC=C5Cl)F
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Product OPENEYE NAME: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
CAS Name: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
IUPAC NAME: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C25H18Cl2N4
MOLECULAR WEIGHT: 445.34322
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl.[Cl-]
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Product OPENEYE NAME: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium
CAS Name: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium
IUPAC NAME: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 2-(3-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C25H18ClN4+
MOLECULAR WEIGHT: 409.89022
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: tripotassium (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-oxido-phosphoryl]amino]pentanedioate
CAS Name: tripotassium (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-oxidophosphoryl]amino]pentanedioate
IUPAC NAME: tripotassium (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-oxidophosphoryl]amino]pentanedioate
SYSTEMATIC NAME: tripotassium (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-13-methyl-3-(phenylcarbonyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-oxidanidyl-phosphoryl]amino]pentanedioate
MOLECULAR FORMULA: C33H39K3NO10P
MOLECULAR WEIGHT: 757.932121
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCCCOP(=O)(N[C@@H](CCC(=O)[O-])C(=O)[O-])[O-])CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5.[K+].[K+].[K+]
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Product OPENEYE NAME: (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-hydroxy-phosphoryl]amino]pentanedioic acid
CAS Name: (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-hydroxyphosphoryl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-hydroxyphosphoryl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[3-[[(8R,9S,13S,14S,17S)-13-methyl-3-(phenylcarbonyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propoxy-oxidanyl-phosphoryl]amino]pentanedioic acid
MOLECULAR FORMULA: C33H42NO10P
MOLECULAR WEIGHT: 643.661041
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: tripotassium (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxido-phosphoryl]amino]pentanedioate
CAS Name: tripotassium (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxidophosphoryl]amino]pentanedioate
IUPAC NAME: tripotassium (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxidophosphoryl]amino]pentanedioate
SYSTEMATIC NAME: tripotassium (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxidanidyl-phosphoryl]amino]pentanedioate
MOLECULAR FORMULA: C32H53K3NO7P
MOLECULAR WEIGHT: 712.034381
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)OP(=O)(N[C@@H](CCC(=O)[O-])C(=O)[O-])[O-])C)C.[K+].[K+].[K+]
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