Product OPENEYE NAME: methyl (4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl (4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C12H18N2O4S
MOLECULAR WEIGHT: 286.34732
SMILES: CC1=C([C@@H](NC(=S)N1)[C@H]2COC(O2)(C)C)C(=O)OC
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MOLECULAR FORMULA: C8H10N2O3S
MOLECULAR WEIGHT: 214.2416
SMILES: C[C@]12[C@H]3[C@H]([C@@H](CO1)OC3=O)NC(=S)N2
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Product OPENEYE NAME: methyl (1R,5R,8S,9S)-8-hydroxy-5-methyl-3-thioxo-6-oxa-2,4-diazabicyclo[3.3.1]nonane-9-carboxylate
CAS Name: (1R,5R,8S,9S)-8-hydroxy-5-methyl-3-sulfanylidene-6-oxa-2,4-diazabicyclo[3.3.1]nonane-9-carboxylic acid methyl ester
IUPAC NAME: methyl (1R,5R,8S,9S)-8-hydroxy-5-methyl-3-sulfanylidene-6-oxa-2,4-diazabicyclo[3.3.1]nonane-9-carboxylate
SYSTEMATIC NAME: methyl (1R,5R,8S,9S)-5-methyl-8-oxidanyl-3-sulfanylidene-6-oxa-2,4-diazabicyclo[3.3.1]nonane-9-carboxylate
MOLECULAR FORMULA: C9H14N2O4S
MOLECULAR WEIGHT: 246.28346
SMILES: C[C@]12[C@H]([C@H]([C@@H](CO1)O)NC(=S)N2)C(=O)OC
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Product OPENEYE NAME: (1R,5R,8S)-8-hydroxy-5-methyl-6-oxa-2,4-diazabicyclo[3.3.1]nonane-3-thione
CAS Name: (1R,5R,8S)-8-hydroxy-5-methyl-6-oxa-2,4-diazabicyclo[3.3.1]nonane-3-thione
IUPAC NAME: (1R,5R,8S)-8-hydroxy-5-methyl-6-oxa-2,4-diazabicyclo[3.3.1]nonane-3-thione
SYSTEMATIC NAME: (1R,5R,8S)-5-methyl-8-oxidanyl-6-oxa-2,4-diazabicyclo[3.3.1]nonane-3-thione
MOLECULAR FORMULA: C7H12N2O2S
MOLECULAR WEIGHT: 188.24738
SMILES: C[C@]12C[C@H]([C@@H](CO1)O)NC(=S)N2
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Product OPENEYE NAME: methyl 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
CAS Name: 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C13H20N2O4S
MOLECULAR WEIGHT: 300.3739
SMILES: CC1=C(C(N=C(N1)SC)[C@H]2COC(O2)(C)C)C(=O)OC
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Product OPENEYE NAME: methyl 4-[(1S)-1,2-dihydroxyethyl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
CAS Name: 4-[(1S)-1,2-dihydroxyethyl]-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[(1S)-1,2-dihydroxyethyl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 4-[(1S)-1,2-bis(oxidanyl)ethyl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C10H16N2O4S
MOLECULAR WEIGHT: 260.31004
SMILES: CC1=C(C(N=C(N1)SC)[C@@H](CO)O)C(=O)OC
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Product OPENEYE NAME: 2-(3,5-dimethoxyphenoxy)-1-phenyl-ethanone
CAS Name: 2-(3,5-dimethoxyphenoxy)-1-phenylethanone
IUPAC NAME: 2-(3,5-dimethoxyphenoxy)-1-phenylethanone
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenoxy)-1-phenyl-ethanone
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC(=CC(=C1)OCC(=O)C2=CC=CC=C2)OC
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Product OPENEYE NAME: 2-(3-methoxyphenoxy)-1-phenyl-ethanone
CAS Name: 2-(3-methoxyphenoxy)-1-phenylethanone
IUPAC NAME: 2-(3-methoxyphenoxy)-1-phenylethanone
SYSTEMATIC NAME: 2-(3-methoxyphenoxy)-1-phenyl-ethanone
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: COC1=CC(=CC=C1)OCC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2,5-dimethyl-3-phenyl-pyrazine
CAS Name: 2,5-dimethyl-3-phenylpyrazine
IUPAC NAME: 2,5-dimethyl-3-phenylpyrazine
SYSTEMATIC NAME: 2,5-dimethyl-3-phenyl-pyrazine
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: CC1=CN=C(C(=N1)C2=CC=CC=C2)C
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Product OPENEYE NAME: 2-(p-tolylsulfonyl)-3H-pyridazine-3-carbonitrile
CAS Name: 2-(4-methylphenyl)sulfonyl-3H-pyridazine-3-carbonitrile
IUPAC NAME: 2-(4-methylphenyl)sulfonyl-3H-pyridazine-3-carbonitrile
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonyl-3H-pyridazine-3-carbonitrile
MOLECULAR FORMULA: C12H11N3O2S
MOLECULAR WEIGHT: 261.29964
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(C=CC=N2)C#N
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Product OPENEYE NAME: pyridazine-3-carbonitrile
CAS Name: 3-pyridazinecarbonitrile
IUPAC NAME: pyridazine-3-carbonitrile
SYSTEMATIC NAME: pyridazine-3-carbonitrile
MOLECULAR FORMULA: C5H3N3
MOLECULAR WEIGHT: 105.09742
SMILES: C1=CC(=NN=C1)C#N
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Product OPENEYE NAME: 6-methylpyridazine-3-carbonitrile
CAS Name: 6-methyl-3-pyridazinecarbonitrile
IUPAC NAME: 6-methylpyridazine-3-carbonitrile
SYSTEMATIC NAME: 6-methylpyridazine-3-carbonitrile
MOLECULAR FORMULA: C6H5N3
MOLECULAR WEIGHT: 119.124
SMILES: CC1=NN=C(C=C1)C#N
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Product OPENEYE NAME: (1R,5R)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-4-one
CAS Name: (1R,5R)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-4-one
IUPAC NAME: (1R,5R)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-4-one
SYSTEMATIC NAME: (1R,5R)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-4-one
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: C[C@@]12CC[C@H](C1(C)C)CNC2=O
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Product OPENEYE NAME: 2-hydroxy-4-oxido-1,2,4-triazin-4-ium-3-imine
CAS Name: 2-hydroxy-4-oxido-1,2,4-triazin-4-ium-3-imine
IUPAC NAME: 2-hydroxy-4-oxido-1,2,4-triazin-4-ium-3-imine
SYSTEMATIC NAME: 4-oxidanidyl-2-oxidanyl-1,2,4-triazin-4-ium-3-imine
MOLECULAR FORMULA: C3H4N4O2
MOLECULAR WEIGHT: 128.08946
SMILES: C1=NN(C(=N)[N+](=C1)[O-])O
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Product OPENEYE NAME: 3-amino-2-hydroxy-1,2,4-triazin-5-one
CAS Name: 3-amino-2-hydroxy-1,2,4-triazin-5-one
IUPAC NAME: 3-amino-2-hydroxy-1,2,4-triazin-5-one
SYSTEMATIC NAME: 3-azanyl-2-oxidanyl-1,2,4-triazin-5-one
MOLECULAR FORMULA: C3H4N4O2
MOLECULAR WEIGHT: 128.08946
SMILES: C1=NN(C(=NC1=O)N)O
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Product OPENEYE NAME: 3-acetyl-1H-imidazol-2-one
CAS Name: 3-acetyl-1H-imidazol-2-one
IUPAC NAME: 3-acetyl-1H-imidazol-2-one
SYSTEMATIC NAME: 3-ethanoyl-1H-imidazol-2-one
MOLECULAR FORMULA: C5H6N2O2
MOLECULAR WEIGHT: 126.11334
SMILES: CC(=O)N1C=CNC1=O
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Product OPENEYE NAME: ethyl 1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate
CAS Name: 1-azabicyclo[2.2.2]oct-2-ene-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: ethyl 1-azabicyclo[2.2.2]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CCOC(=O)C1=CC2CCN1CC2
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Product OPENEYE NAME: quinuclidine-2-carbaldehyde
CAS Name: 1-azabicyclo[2.2.2]octane-2-carboxaldehyde
IUPAC NAME: 1-azabicyclo[2.2.2]octane-2-carbaldehyde
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octane-2-carbaldehyde
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: C1CN2CCC1CC2C=O
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Product OPENEYE NAME: (E)-1-[2,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CAS Name: (E)-1-[2,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-1-[2,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[2,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: COCOC1=C(C(=CC=C1)OCOC)C(=O)/C=C/C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 5-methoxy-2-(4-methoxyphenyl)chroman-4-one
CAS Name: 5-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=CC=C3OC
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Product OPENEYE NAME: (E)-1-(2-benzyloxy-6-hydroxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CAS Name: (E)-3-(4-hydroxyphenyl)-1-(2-hydroxy-6-phenylmethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(4-hydroxyphenyl)-1-(2-hydroxy-6-phenylmethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-hydroxyphenyl)-1-(2-oxidanyl-6-phenylmethoxy-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C22H18O4
MOLECULAR WEIGHT: 346.37592
SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)/C=C/C3=CC=C(C=C3)O)O
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