Product OPENEYE NAME: (3E)-3-[hydroxy-[(5-methylisoxazol-3-yl)amino]methylene]-2,6-dimethyl-1,1-dioxo-pyrazolo[4,3-e]thiazin-4-one
CAS Name: (3E)-3-[hydroxy-[(5-methyl-3-isoxazolyl)amino]methylidene]-2,6-dimethyl-1,1-dioxo-4-pyrazolo[4,3-e]thiazinone
IUPAC NAME: (3E)-3-[hydroxy-[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-2,6-dimethyl-1,1-dioxopyrazolo[4,3-e]thiazin-4-one
SYSTEMATIC NAME: (3E)-2,6-dimethyl-3-[[(5-methyl-1,2-oxazol-3-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)pyrazolo[4,3-e][1,2]thiazin-4-one
MOLECULAR FORMULA: C12H13N5O5S
MOLECULAR WEIGHT: 339.32712
SMILES: CC1=CC(=NO1)N/C(=C\2/C(=O)C3=CN(N=C3S(=O)(=O)N2C)C)/O
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Product OPENEYE NAME: (3E)-7-benzyl-3-[hydroxy-[(5-methylisoxazol-3-yl)amino]methylene]-2-methyl-1,1-dioxo-pyrazolo[4,3-e]thiazin-4-one
CAS Name: (3E)-3-[hydroxy-[(5-methyl-3-isoxazolyl)amino]methylidene]-2-methyl-1,1-dioxo-7-(phenylmethyl)-4-pyrazolo[4,3-e]thiazinone
IUPAC NAME: (3E)-7-benzyl-3-[hydroxy-[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-2-methyl-1,1-dioxopyrazolo[4,3-e]thiazin-4-one
SYSTEMATIC NAME: (3E)-2-methyl-3-[[(5-methyl-1,2-oxazol-3-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)-7-(phenylmethyl)pyrazolo[4,3-e][1,2]thiazin-4-one
MOLECULAR FORMULA: C18H17N5O5S
MOLECULAR WEIGHT: 415.42308
SMILES: CC1=CC(=NO1)N/C(=C\2/C(=O)C3=C(N(N=C3)CC4=CC=CC=C4)S(=O)(=O)N2C)/O
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Product OPENEYE NAME: (3E)-3-[hydroxy-[(5-methylisoxazol-3-yl)amino]methylene]-2,6-dimethyl-1,1-dioxo-thiazolo[4,5-e]thiazin-4-one
CAS Name: (3E)-3-[hydroxy-[(5-methyl-3-isoxazolyl)amino]methylidene]-2,6-dimethyl-1,1-dioxo-4-thiazolo[4,5-e]thiazinone
IUPAC NAME: (3E)-3-[hydroxy-[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-2,6-dimethyl-1,1-dioxo-[1,3]thiazolo[4,5-e]thiazin-4-one
SYSTEMATIC NAME: (3E)-2,6-dimethyl-3-[[(5-methyl-1,2-oxazol-3-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)-[1,3]thiazolo[4,5-e][1,2]thiazin-4-one
MOLECULAR FORMULA: C12H12N4O5S2
MOLECULAR WEIGHT: 356.37748
SMILES: CC1=CC(=NO1)N/C(=C\2/C(=O)C3=C(SC(=N3)C)S(=O)(=O)N2C)/O
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Product OPENEYE NAME: [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] prop-2-enoate
CAS Name: 2-propenoic acid [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester
IUPAC NAME: [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] prop-2-enoate
SYSTEMATIC NAME: [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] prop-2-enoate
MOLECULAR FORMULA: C15H22O7
MOLECULAR WEIGHT: 314.33098
SMILES: CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C=C)C
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Product OPENEYE NAME: [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoate
CAS Name: 3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)propanoic acid [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester
IUPAC NAME: [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
SYSTEMATIC NAME: [(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoate
MOLECULAR FORMULA: C19H25FN2O9
MOLECULAR WEIGHT: 444.408203
SMILES: CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)CCN4C=C(C(=O)NC4=O)F)C
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Product OPENEYE NAME: 5-(1,2-dimethylheptyl)-2-[(Z)-3-hydroxy-3-methyl-1-(4-pyridyl)but-1-enyl]benzene-1,3-diol
CAS Name: 2-[(Z)-3-hydroxy-3-methyl-1-pyridin-4-ylbut-1-enyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
IUPAC NAME: 2-[(Z)-3-hydroxy-3-methyl-1-pyridin-4-ylbut-1-enyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
SYSTEMATIC NAME: 5-(3-methyloctan-2-yl)-2-[(Z)-3-methyl-3-oxidanyl-1-pyridin-4-yl-but-1-enyl]benzene-1,3-diol
MOLECULAR FORMULA: C25H35NO3
MOLECULAR WEIGHT: 397.5503
SMILES: CCCCCC(C)C(C)C1=CC(=C(C(=C1)O)/C(=C\C(C)(C)O)/C2=CC=NC=C2)O
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Product OPENEYE NAME: 5-(1,2-dimethylheptyl)-2-[(1S,2R)-3-hydroxy-2,3-dimethyl-1-(4-pyridyl)butyl]benzene-1,3-diol
CAS Name: 2-[(1S,2R)-3-hydroxy-2,3-dimethyl-1-pyridin-4-ylbutyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
IUPAC NAME: 2-[(1S,2R)-3-hydroxy-2,3-dimethyl-1-pyridin-4-ylbutyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
SYSTEMATIC NAME: 2-[(1S,2R)-2,3-dimethyl-3-oxidanyl-1-pyridin-4-yl-butyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
MOLECULAR FORMULA: C26H39NO3
MOLECULAR WEIGHT: 413.59276
SMILES: CCCCCC(C)C(C)C1=CC(=C(C(=C1)O)[C@H](C2=CC=NC=C2)[C@@H](C)C(C)(C)O)O
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Product OPENEYE NAME: 5-(1,2-dimethylheptyl)-2-[(1S,2S)-3-hydroxy-2,3-dimethyl-1-(4-pyridyl)butyl]benzene-1,3-diol
CAS Name: 2-[(1S,2S)-3-hydroxy-2,3-dimethyl-1-pyridin-4-ylbutyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
IUPAC NAME: 2-[(1S,2S)-3-hydroxy-2,3-dimethyl-1-pyridin-4-ylbutyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
SYSTEMATIC NAME: 2-[(1S,2S)-2,3-dimethyl-3-oxidanyl-1-pyridin-4-yl-butyl]-5-(3-methyloctan-2-yl)benzene-1,3-diol
MOLECULAR FORMULA: C26H39NO3
MOLECULAR WEIGHT: 413.59276
SMILES: CCCCCC(C)C(C)C1=CC(=C(C(=C1)O)[C@H](C2=CC=NC=C2)[C@H](C)C(C)(C)O)O
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Product OPENEYE NAME: (3R,4S)-7-(1,2-dimethylheptyl)-2,2,3-trimethyl-4-(4-pyridyl)chroman-5-ol
CAS Name: (3R,4S)-2,2,3-trimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-3,4-dihydro-2H-1-benzopyran-5-ol
IUPAC NAME: (3R,4S)-2,2,3-trimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-3,4-dihydrochromen-5-ol
SYSTEMATIC NAME: (3R,4S)-2,2,3-trimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-3,4-dihydrochromen-5-ol
MOLECULAR FORMULA: C26H37NO2
MOLECULAR WEIGHT: 395.57748
SMILES: CCCCCC(C)C(C)C1=CC2=C([C@@H]([C@H](C(O2)(C)C)C)C3=CC=NC=C3)C(=C1)O
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Product OPENEYE NAME: (3S,4S)-7-(1,2-dimethylheptyl)-2,2,3-trimethyl-4-(4-pyridyl)chroman-5-ol
CAS Name: (3S,4S)-2,2,3-trimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-3,4-dihydro-2H-1-benzopyran-5-ol
IUPAC NAME: (3S,4S)-2,2,3-trimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-3,4-dihydrochromen-5-ol
SYSTEMATIC NAME: (3S,4S)-2,2,3-trimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-3,4-dihydrochromen-5-ol
MOLECULAR FORMULA: C26H37NO2
MOLECULAR WEIGHT: 395.57748
SMILES: CCCCCC(C)C(C)C1=CC2=C([C@@H]([C@@H](C(O2)(C)C)C)C3=CC=NC=C3)C(=C1)O
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Product OPENEYE NAME: (2E)-2-(5-amino-1,2,4-triazol-1-yl)-2-hydroxyimino-1-phenyl-ethanone
CAS Name: (2E)-2-(5-amino-1,2,4-triazol-1-yl)-2-hydroxyimino-1-phenylethanone
IUPAC NAME: (2E)-2-(5-amino-1,2,4-triazol-1-yl)-2-hydroxyimino-1-phenylethanone
SYSTEMATIC NAME: (2E)-2-(5-azanyl-1,2,4-triazol-1-yl)-2-hydroxyimino-1-phenyl-ethanone
MOLECULAR FORMULA: C10H9N5O2
MOLECULAR WEIGHT: 231.21076
SMILES: C1=CC=C(C=C1)C(=O)/C(=N\O)/N2C(=NC=N2)N
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Product OPENEYE NAME: 6-nitroso-5-phenyl-1H-imidazo[1,2-b][1,2,4]triazole
CAS Name: 6-nitroso-5-phenyl-1H-imidazo[1,2-b][1,2,4]triazole
IUPAC NAME: 6-nitroso-5-phenyl-1H-imidazo[1,2-b][1,2,4]triazole
SYSTEMATIC NAME: 6-nitroso-5-phenyl-1H-imidazo[1,2-b][1,2,4]triazole
MOLECULAR FORMULA: C10H7N5O
MOLECULAR WEIGHT: 213.19548
SMILES: C1=CC=C(C=C1)C2=C(N3C(=N2)N=CN3)N=O
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Product OPENEYE NAME: 5-(4-nitrophenyl)-6-nitroso-1H-imidazo[1,2-b][1,2,4]triazole
CAS Name: 5-(4-nitrophenyl)-6-nitroso-1H-imidazo[1,2-b][1,2,4]triazole
IUPAC NAME: 5-(4-nitrophenyl)-6-nitroso-1H-imidazo[1,2-b][1,2,4]triazole
SYSTEMATIC NAME: 5-(4-nitrophenyl)-6-nitroso-1H-imidazo[1,2-b][1,2,4]triazole
MOLECULAR FORMULA: C10H6N6O3
MOLECULAR WEIGHT: 258.19304
SMILES: C1=CC(=CC=C1C2=C(N3C(=N2)N=CN3)N=O)[N+](=O)[O-]
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Product OPENEYE NAME: (2Z)-2-hydroxyimino-2-(2-iminopyrazin-1-yl)-1-phenyl-ethanone
CAS Name: (2Z)-2-hydroxyimino-2-(2-imino-1-pyrazinyl)-1-phenylethanone
IUPAC NAME: (2Z)-2-hydroxyimino-2-(2-iminopyrazin-1-yl)-1-phenylethanone
SYSTEMATIC NAME: (2Z)-2-(2-azanylidenepyrazin-1-yl)-2-hydroxyimino-1-phenyl-ethanone
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: C1=CC=C(C=C1)C(=O)/C(=N/O)/N2C=CN=CC2=N
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Product OPENEYE NAME: (1E)-N-hydroxy-2-(4-nitrophenyl)-2-oxo-acetimidoyl chloride
CAS Name: (1E)-N-hydroxy-2-(4-nitrophenyl)-2-oxoethanimidoyl chloride
IUPAC NAME: (1E)-N-hydroxy-2-(4-nitrophenyl)-2-oxoethanimidoyl chloride
SYSTEMATIC NAME: (1E)-2-(4-nitrophenyl)-N-oxidanyl-2-oxidanylidene-ethanimidoyl chloride
MOLECULAR FORMULA: C8H5ClN2O4
MOLECULAR WEIGHT: 228.5893
SMILES: C1=CC(=CC=C1C(=O)/C(=N\O)/Cl)[N+](=O)[O-]
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C11H10O
MOLECULAR WEIGHT: 158.1965
SMILES: C1C2CC1C(=O)C3=CC=CC=C23
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MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: C1C2CC1NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-]
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MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: C1C2CC1C(=O)NC3=C2C=CC(=C3)N
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MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: C1C2CC1NC(=O)C3=C2C=CC(=C3)N
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MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: C1C2CC1C3=C(C=C(C=C3)[N+](=O)[O-])NC2
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