Product OPENEYE NAME: 3-[4,4-bis(4-fluorophenyl)butylsulfanylmethyl]-5-(2-furyl)isoxazole
CAS Name: 3-[[4,4-bis(4-fluorophenyl)butylthio]methyl]-5-(2-furanyl)isoxazole
IUPAC NAME: 3-[4,4-bis(4-fluorophenyl)butylsulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
SYSTEMATIC NAME: 3-[4,4-bis(4-fluorophenyl)butylsulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
MOLECULAR FORMULA: C24H21F2NO2S
MOLECULAR WEIGHT: 425.490846
SMILES: C1=COC(=C1)C2=CC(=NO2)CSCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 4-[(2S)-2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CAS Name: 4-[(2S)-2-[(2,5-dimethoxyphenyl)methylthio]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one
IUPAC NAME: 4-[(2S)-2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
SYSTEMATIC NAME: 4-[(2S)-2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
MOLECULAR FORMULA: C22H26N2O4S
MOLECULAR WEIGHT: 414.51784
SMILES: C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SCC3=C(C=CC(=C3)OC)OC
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Product OPENEYE NAME: 4-[(2R)-2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CAS Name: 4-[(2R)-2-[(2,5-dimethoxyphenyl)methylthio]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one
IUPAC NAME: 4-[(2R)-2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
SYSTEMATIC NAME: 4-[(2R)-2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
MOLECULAR FORMULA: C22H26N2O4S
MOLECULAR WEIGHT: 414.51784
SMILES: C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SCC3=C(C=CC(=C3)OC)OC
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Product OPENEYE NAME: 6-[(2,5-dimethoxyphenyl)methylsulfanylmethyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CAS Name: 6-[[(2,5-dimethoxyphenyl)methylthio]methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-[(2,5-dimethoxyphenyl)methylsulfanylmethyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[(2,5-dimethoxyphenyl)methylsulfanylmethyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C20H23N5O3S
MOLECULAR WEIGHT: 413.49332
SMILES: COC1=CC(=C(C=C1)OC)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N
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Product OPENEYE NAME: (3-hydroxyphenyl)methyl-[(6-methoxy-2-naphthyl)methyl]ammonium
CAS Name: (3-hydroxyphenyl)methyl-[(6-methoxy-2-naphthalenyl)methyl]ammonium
IUPAC NAME: (3-hydroxyphenyl)methyl-[(6-methoxynaphthalen-2-yl)methyl]azanium
SYSTEMATIC NAME: (3-hydroxyphenyl)methyl-[(6-methoxynaphthalen-2-yl)methyl]azanium
MOLECULAR FORMULA: C19H20NO2+
MOLECULAR WEIGHT: 294.3676
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C[NH2+]CC3=CC(=CC=C3)O
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Product OPENEYE NAME: 3-[[(6-methoxy-2-naphthyl)methylamino]methyl]phenol
CAS Name: 3-[[(6-methoxy-2-naphthalenyl)methylamino]methyl]phenol
IUPAC NAME: 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenol
SYSTEMATIC NAME: 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenol
MOLECULAR FORMULA: C19H19NO2
MOLECULAR WEIGHT: 293.35966
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)CNCC3=CC(=CC=C3)O
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Product OPENEYE NAME: (4-hydroxy-3,5-dimethyl-phenyl)methyl-[(6-methoxy-2-naphthyl)methyl]ammonium
CAS Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[(6-methoxy-2-naphthalenyl)methyl]ammonium
IUPAC NAME: (4-hydroxy-3,5-dimethylphenyl)methyl-[(6-methoxynaphthalen-2-yl)methyl]azanium
SYSTEMATIC NAME: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(6-methoxynaphthalen-2-yl)methyl]azanium
MOLECULAR FORMULA: C21H24NO2+
MOLECULAR WEIGHT: 322.42076
SMILES: CC1=CC(=CC(=C1O)C)C[NH2+]CC2=CC3=C(C=C2)C=C(C=C3)OC
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Product OPENEYE NAME: 4-[[(6-methoxy-2-naphthyl)methylamino]methyl]-2,6-dimethyl-phenol
CAS Name: 4-[[(6-methoxy-2-naphthalenyl)methylamino]methyl]-2,6-dimethylphenol
IUPAC NAME: 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]-2,6-dimethylphenol
SYSTEMATIC NAME: 4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]-2,6-dimethyl-phenol
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC1=CC(=CC(=C1O)C)CNCC2=CC3=C(C=C2)C=C(C=C3)OC
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Product OPENEYE NAME: 4-chloro-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
CAS Name: 4-chloro-N-[3-(1-pyrrolidin-1-iumylmethyl)phenyl]benzamide
IUPAC NAME: 4-chloro-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
MOLECULAR FORMULA: C18H20ClN2O+
MOLECULAR WEIGHT: 315.8172
SMILES: C1CC[NH+](C1)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CAS Name: 4-chloro-N-[3-(1-pyrrolidinylmethyl)phenyl]benzamide
IUPAC NAME: 4-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
MOLECULAR FORMULA: C18H19ClN2O
MOLECULAR WEIGHT: 314.80926
SMILES: C1CCN(C1)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-methoxyethyl (4S)-4-(5-chloro-2-thienyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-(5-chloro-2-thiophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl (4S)-4-(5-chlorothiophen-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: 2-methoxyethyl (4S)-4-(5-chloranylthiophen-2-yl)-1,3,6-trimethyl-2-oxidanylidene-4H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H19ClN2O4S
MOLECULAR WEIGHT: 358.84036
SMILES: CC1=C([C@H](N(C(=O)N1C)C)C2=CC=C(S2)Cl)C(=O)OCCOC
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Product OPENEYE NAME: 2-methoxyethyl (4R)-4-(5-chloro-2-thienyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-(5-chloro-2-thiophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl (4R)-4-(5-chlorothiophen-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: 2-methoxyethyl (4R)-4-(5-chloranylthiophen-2-yl)-1,3,6-trimethyl-2-oxidanylidene-4H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H19ClN2O4S
MOLECULAR WEIGHT: 358.84036
SMILES: CC1=C([C@@H](N(C(=O)N1C)C)C2=CC=C(S2)Cl)C(=O)OCCOC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H17FN2O4S
MOLECULAR WEIGHT: 424.444783
SMILES: C[C@@]12[C@@H]([C@@H](C3=CC=CC=C3O1)N4C(=O)/C(=C/C5=CC=C(C=C5)F)/SC4=N2)C(=O)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H17FN2O4S
MOLECULAR WEIGHT: 424.444783
SMILES: C[C@@]12[C@H]([C@@H](C3=CC=CC=C3O1)N4C(=O)/C(=C/C5=CC=C(C=C5)F)/SC4=N2)C(=O)OC
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Product OPENEYE NAME: methyl (6R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS Name: (6R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
IUPAC NAME: methyl (6R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl (6R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C24H24N2O8
MOLECULAR WEIGHT: 468.45596
SMILES: CC1=C([C@H](NC(=O)N1C2=CC3=C(C=C2)OCCCO3)C4=CC5=C(C(=C4)OC)OCO5)C(=O)OC
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Product OPENEYE NAME: methyl (6S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS Name: (6S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
IUPAC NAME: methyl (6S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl (6S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C24H24N2O8
MOLECULAR WEIGHT: 468.45596
SMILES: CC1=C([C@@H](NC(=O)N1C2=CC3=C(C=C2)OCCCO3)C4=CC5=C(C(=C4)OC)OCO5)C(=O)OC
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Product OPENEYE NAME: 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CAS Name: 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-pentanone
IUPAC NAME: 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
SYSTEMATIC NAME: 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
MOLECULAR FORMULA: C17H21N3O
MOLECULAR WEIGHT: 283.36814
SMILES: CCCCC(=O)N1CCC(=CC1)C2=CNC3=C2C=CC=N3
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Product OPENEYE NAME: 1-phenyl-N-[2-(8-quinolyl)ethyl]pyrazole-4-carboxamide
CAS Name: 1-phenyl-N-[2-(8-quinolinyl)ethyl]-4-pyrazolecarboxamide
IUPAC NAME: 1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
SYSTEMATIC NAME: 1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
MOLECULAR FORMULA: C21H18N4O
MOLECULAR WEIGHT: 342.39382
SMILES: C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCCC3=CC=CC4=C3N=CC=C4
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Product OPENEYE NAME: (4-hydroxyphenyl)-[1-(2-methyl-5-methylsulfonyl-benzoyl)-4-piperidyl]methanone
CAS Name: (4-hydroxyphenyl)-[1-[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]-4-piperidinyl]methanone
IUPAC NAME: (4-hydroxyphenyl)-[1-(2-methyl-5-methylsulfonylbenzoyl)piperidin-4-yl]methanone
SYSTEMATIC NAME: (4-hydroxyphenyl)-[1-(2-methyl-5-methylsulfonyl-phenyl)carbonylpiperidin-4-yl]methanone
MOLECULAR FORMULA: C21H23NO5S
MOLECULAR WEIGHT: 401.47602
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)O
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Product OPENEYE NAME: (5R)-5-methyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CAS Name: (5R)-5-methyl-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
IUPAC NAME: (5R)-5-methyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: (5R)-5-methyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C21H29N4OS+
MOLECULAR WEIGHT: 385.54616
SMILES: C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)NCC3=CN=C(C=C3)N4CC[NH+](CC4)C
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