Product OPENEYE NAME: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
CAS Name: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
IUPAC NAME: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
SYSTEMATIC NAME: 7-azanyl-3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: CN1C2=C(C(=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)N=C2N
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Product OPENEYE NAME: methyl (E)-4-(isopropylamino)-3-methyl-but-2-enoate
CAS Name: (E)-3-methyl-4-(propan-2-ylamino)-2-butenoic acid methyl ester
IUPAC NAME: methyl (E)-3-methyl-4-(propan-2-ylamino)but-2-enoate
SYSTEMATIC NAME: methyl (E)-3-methyl-4-(propan-2-ylamino)but-2-enoate
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: CC(C)NC/C(=C/C(=O)OC)/C
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Product OPENEYE NAME: 5-methyl-2-morpholino-furo[3,2-c]quinoline-3,4-dione
CAS Name: 5-methyl-2-(4-morpholinyl)furo[3,2-c]quinoline-3,4-dione
IUPAC NAME: 5-methyl-2-morpholin-4-ylfuro[3,2-c]quinoline-3,4-dione
SYSTEMATIC NAME: 5-methyl-2-morpholin-4-yl-furo[3,2-c]quinoline-3,4-dione
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: CN1C2=CC=CC=C2C3=C(C1=O)C(=O)C(O3)N4CCOCC4
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Product OPENEYE NAME: (2E,4Z)-3-amino-2,4-dicyano-5-phenyl-penta-2,4-dienehydrazide
CAS Name: (2E,4Z)-3-amino-2,4-dicyano-5-phenylpenta-2,4-dienehydrazide
IUPAC NAME: (2E,4Z)-3-amino-2,4-dicyano-5-phenylpenta-2,4-dienehydrazide
SYSTEMATIC NAME: (2E,4Z)-3-azanyl-2,4-dicyano-5-phenyl-penta-2,4-dienehydrazide
MOLECULAR FORMULA: C13H11N5O
MOLECULAR WEIGHT: 253.25934
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C(=C(/C#N)\C(=O)NN)/N
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Product OPENEYE NAME: ethyl 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)acetyl]pyrazole-1-carboxylate
CAS Name: 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-1-oxoethyl]-1-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)acetyl]pyrazole-1-carboxylate
SYSTEMATIC NAME: ethyl 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethanoyl]pyrazole-1-carboxylate
MOLECULAR FORMULA: C20H16Cl2N2O3
MOLECULAR WEIGHT: 403.25864
SMILES: CCOC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)C(=O)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-2-yl]sulfanyl]-1H-indol-3-yl]-N,N-dimethyl-ethanamine
CAS Name: 2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-2-yl]thio]-1H-indol-3-yl]-N,N-dimethylethanamine
IUPAC NAME: 2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-2-yl]sulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-2-yl]sulfanyl]-1H-indol-3-yl]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C24H30N4S
MOLECULAR WEIGHT: 406.5868
SMILES: CN(C)CCC1=C(NC2=CC=CC=C21)SC3=C(C4=CC=CC=C4N3)CCN(C)C
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Product OPENEYE NAME: ethyl (2Z)-2-hydroxyimino-2-imidazol-1-yl-acetate
CAS Name: (2Z)-2-hydroxyimino-2-(1-imidazolyl)acetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-hydroxyimino-2-imidazol-1-ylacetate
SYSTEMATIC NAME: ethyl (2Z)-2-hydroxyimino-2-imidazol-1-yl-ethanoate
MOLECULAR FORMULA: C7H9N3O3
MOLECULAR WEIGHT: 183.16466
SMILES: CCOC(=O)/C(=N/O)/N1C=CN=C1
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Product OPENEYE NAME: 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[2-[[(E)-1-(3-pyridyl)ethylideneamino]carbamothioylamino]ethyl]thiourea
CAS Name: 1-[(E)-1-(2-pyridinyl)ethylideneamino]-3-[2-[[[(2E)-2-[1-(3-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]ethyl]thiourea
IUPAC NAME: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-3-ylethylideneamino]carbamothioylamino]ethyl]thiourea
SYSTEMATIC NAME: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-3-ylethylideneamino]carbamothioylamino]ethyl]thiourea
MOLECULAR FORMULA: C18H22N8S2
MOLECULAR WEIGHT: 414.55088
SMILES: C/C(=N\NC(=S)NCCNC(=S)N/N=C(\C)/C1=CC=CC=N1)/C2=CN=CC=C2
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[(5-amino-6-carbamoyl-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[(5-amino-6-carbamoyl-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[(5-amino-6-carbamoylpyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[(6-aminocarbonyl-5-azanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C23H30N6O6
MOLECULAR WEIGHT: 486.5209
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C(C(=N2)C(=O)N)N
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Product OPENEYE NAME: (2S)-2-[[4-[(5-amino-6-carbamoyl-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[[4-[(5-amino-6-carbamoyl-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[4-[(5-amino-6-carbamoylpyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(6-aminocarbonyl-5-azanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H22N6O6
MOLECULAR WEIGHT: 430.41458
SMILES: CN(CC1=CN=C(C(=N1)C(=O)N)N)C2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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Product OPENEYE NAME: 6-(bromomethyl)-4-hydroxy-3-imino-pyrazine-2-carboxamide
CAS Name: 6-(bromomethyl)-4-hydroxy-3-imino-2-pyrazinecarboxamide
IUPAC NAME: 6-(bromomethyl)-4-hydroxy-3-iminopyrazine-2-carboxamide
SYSTEMATIC NAME: 3-azanylidene-6-(bromomethyl)-4-oxidanyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C6H7BrN4O2
MOLECULAR WEIGHT: 247.04938
SMILES: C1=C(N=C(C(=N)N1O)C(=O)N)CBr
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[(6-carbamoyl-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[(6-carbamoyl-4-hydroxy-5-imino-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[(6-carbamoyl-4-hydroxy-5-iminopyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[(6-aminocarbonyl-5-azanylidene-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C23H30N6O7
MOLECULAR WEIGHT: 502.5203
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN(C(=N)C(=N2)C(=O)N)O
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Product OPENEYE NAME: ethyl 4-chloro-N-[4-(trifluoromethyl)benzoyl]benzenecarboximidothioate
CAS Name: 4-chloro-N-[oxo-[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidothioic acid ethyl ester
IUPAC NAME: ethyl 4-chloro-N-[4-(trifluoromethyl)benzoyl]benzenecarboximidothioate
SYSTEMATIC NAME: ethyl 4-chloranyl-N-[4-(trifluoromethyl)phenyl]carbonyl-benzenecarboximidothioate
MOLECULAR FORMULA: C17H13ClF3NOS
MOLECULAR WEIGHT: 371.80443
SMILES: CCSC(=NC(=O)C1=CC=C(C=C1)C(F)(F)F)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
CAS Name: 2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
IUPAC NAME: 2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
SYSTEMATIC NAME: 2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
MOLECULAR FORMULA: C18H11F3N4
MOLECULAR WEIGHT: 340.30195
SMILES: C1=CC=C(C=C1)C2=NC3=CC=NN3C(=N2)C4=CC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 7-(3-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
CAS Name: 7-(3-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
IUPAC NAME: 7-(3-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
SYSTEMATIC NAME: 7-(3-methoxyphenyl)-2-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a][1,3,5]triazine
MOLECULAR FORMULA: C25H17F3N4O
MOLECULAR WEIGHT: 446.42389
SMILES: COC1=CC=CC(=C1)C2=NN3C(=C2)N=C(N=C3C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5
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Product OPENEYE NAME: 1-acetyl-6-tert-butyl-4-(isopropylideneamino)-3-methylsulfanyl-6H-1,2,4-triazin-5-one
CAS Name: 1-acetyl-6-tert-butyl-3-(methylthio)-4-(propan-2-ylideneamino)-6H-1,2,4-triazin-5-one
IUPAC NAME: 1-acetyl-6-tert-butyl-3-methylsulfanyl-4-(propan-2-ylideneamino)-6H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 6-tert-butyl-1-ethanoyl-3-methylsulfanyl-4-(propan-2-ylideneamino)-6H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C13H22N4O2S
MOLECULAR WEIGHT: 298.40438
SMILES: CC(=NN1C(=O)C(N(N=C1SC)C(=O)C)C(C)(C)C)C
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Product OPENEYE NAME: (1S,5S,7R,11R)-1,11-diphenyl-3,4,8,9-tetrazadispiro[4.1.4^{7}.3^{5}]tetradeca-3,8-dien-6-one
CAS Name: (1S,5S,7R,11R)-1,11-diphenyl-3,4,8,9-tetrazadispiro[4.1.4^{7}.3^{5}]tetradeca-3,8-dien-6-one
IUPAC NAME: (1S,5S,7R,11R)-1,11-diphenyl-3,4,8,9-tetrazadispiro[4.1.4^{7}.3^{5}]tetradeca-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S,7R,11R)-1,11-diphenyl-3,4,8,9-tetrazadispiro[4.1.4^{7}.3^{5}]tetradeca-3,8-dien-6-one
MOLECULAR FORMULA: C22H22N4O
MOLECULAR WEIGHT: 358.43628
SMILES: C1C[C@]2([C@H](CN=N2)C3=CC=CC=C3)C(=O)[C@@]4(C1)[C@@H](CN=N4)C5=CC=CC=C5
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Product OPENEYE NAME: (1R,5R,9E)-1-phenyl-9-(1-phenylethylidene)-3,4-diazaspiro[4.5]dec-3-en-10-one
CAS Name: (1R,5R,9E)-1-phenyl-9-(1-phenylethylidene)-3,4-diazaspiro[4.5]dec-3-en-10-one
IUPAC NAME: (1R,5R,9E)-1-phenyl-9-(1-phenylethylidene)-3,4-diazaspiro[4.5]dec-3-en-10-one
SYSTEMATIC NAME: (1R,5R,9E)-1-phenyl-9-(1-phenylethylidene)-3,4-diazaspiro[4.5]dec-3-en-10-one
MOLECULAR FORMULA: C22H22N2O
MOLECULAR WEIGHT: 330.42288
SMILES: C/C(=C\1/CCC[C@]2(C1=O)[C@@H](CN=N2)C3=CC=CC=C3)/C4=CC=CC=C4
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Product OPENEYE NAME: 1-(2-methoxypyren-1-yl)-N-phenyl-methanimine
CAS Name: 1-(2-methoxy-1-pyrenyl)-N-phenylmethanimine
IUPAC NAME: 1-(2-methoxypyren-1-yl)-N-phenylmethanimine
SYSTEMATIC NAME: 1-(2-methoxypyren-1-yl)-N-phenyl-methanimine
MOLECULAR FORMULA: C24H17NO
MOLECULAR WEIGHT: 335.39788
SMILES: COC1=C(C2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)C=NC5=CC=CC=C5
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Product OPENEYE NAME: 2-methoxy-N-phenyl-pyrene-1-carboximidoyl chloride
CAS Name: 2-methoxy-N-phenyl-1-pyrenecarboximidoyl chloride
IUPAC NAME: 2-methoxy-N-phenylpyrene-1-carboximidoyl chloride
SYSTEMATIC NAME: 2-methoxy-N-phenyl-pyrene-1-carboximidoyl chloride
MOLECULAR FORMULA: C24H16ClNO
MOLECULAR WEIGHT: 369.84294
SMILES: COC1=C(C2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)C(=NC5=CC=CC=C5)Cl
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Product OPENEYE NAME: [(3S,4R)-4-hydroxychroman-3-yl]-phenyl-methanone
CAS Name: [(3S,4R)-4-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-phenylmethanone
IUPAC NAME: [(3S,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone
SYSTEMATIC NAME: [(3S,4R)-4-oxidanyl-3,4-dihydro-2H-chromen-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: C1[C@@H]([C@H](C2=CC=CC=C2O1)O)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2S,5R)-1-tert-butyl-2,5-dimethyl-piperidin-3-ol
CAS Name: (2S,5R)-1-tert-butyl-2,5-dimethyl-3-piperidinol
IUPAC NAME: (2S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol
SYSTEMATIC NAME: (2S,5R)-1-tert-butyl-2,5-dimethyl-piperidin-3-ol
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: C[C@@H]1CC([C@@H](N(C1)C(C)(C)C)C)O
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Product OPENEYE NAME: (2S,5R)-1-tert-butyl-1,2,5-trimethyl-piperidin-1-ium-3-one
CAS Name: (2S,5R)-1-tert-butyl-1,2,5-trimethyl-3-piperidin-1-iumone
IUPAC NAME: (2S,5R)-1-tert-butyl-1,2,5-trimethylpiperidin-1-ium-3-one
SYSTEMATIC NAME: (2S,5R)-1-tert-butyl-1,2,5-trimethyl-piperidin-1-ium-3-one
MOLECULAR FORMULA: C12H24NO+
MOLECULAR WEIGHT: 198.32506
SMILES: C[C@@H]1CC(=O)[C@@H]([N+](C1)(C)C(C)(C)C)C
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