Product OPENEYE NAME: 7-[2-(dimethylamino)ethyl]-1,3-dimethyl-purine-2,6-dione
CAS Name: 7-[2-(dimethylamino)ethyl]-1,3-dimethylpurine-2,6-dione
IUPAC NAME: 7-[2-(dimethylamino)ethyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[2-(dimethylamino)ethyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C11H17N5O2
MOLECULAR WEIGHT: 251.28498
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C
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Product OPENEYE NAME: 2,4-dinitrobenzene-1,3-diol
CAS Name: 2,4-dinitrobenzene-1,3-diol
IUPAC NAME: 2,4-dinitrobenzene-1,3-diol
SYSTEMATIC NAME: 2,4-dinitrobenzene-1,3-diol
MOLECULAR FORMULA: C6H4N2O6
MOLECULAR WEIGHT: 200.10576
SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O
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Product OPENEYE NAME: benzhydrylbenzene
CAS Name: (diphenylmethyl)benzene
IUPAC NAME: benzhydrylbenzene
SYSTEMATIC NAME: (diphenylmethyl)benzene
MOLECULAR FORMULA: C19H16
MOLECULAR WEIGHT: 244.33034
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N,N-diphenylacetamide
CAS Name: N,N-diphenylacetamide
IUPAC NAME: N,N-diphenylacetamide
SYSTEMATIC NAME: N,N-diphenylethanamide
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: CC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(dibutylamino)-2-(4-methoxyphenyl)acetamide
CAS Name: 2-(dibutylamino)-2-(4-methoxyphenyl)acetamide
IUPAC NAME: 2-(dibutylamino)-2-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(dibutylamino)-2-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C17H28N2O2
MOLECULAR WEIGHT: 292.41642
SMILES: CCCCN(CCCC)C(C1=CC=C(C=C1)OC)C(=O)N
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Product OPENEYE NAME: 4-fluoranthen-8-yl-4-oxo-butanoic acid
CAS Name: 4-(8-fluoranthenyl)-4-oxobutanoic acid
IUPAC NAME: 4-fluoranthen-8-yl-4-oxobutanoic acid
SYSTEMATIC NAME: 4-fluoranthen-8-yl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C=C(C=C4)C(=O)CCC(=O)O
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Product OPENEYE NAME: 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one
CAS Name: 1,5-dimethyl-4-(methylamino)-2-phenyl-3-pyrazolone
IUPAC NAME: 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C12H15N3O
MOLECULAR WEIGHT: 217.267
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC
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Product OPENEYE NAME: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hexan-3-ol bromide
CAS Name: 5-methyl-1-(1-methyl-1-piperidin-1-iumyl)-4-phenyl-3-hexanol bromide
IUPAC NAME: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol bromide
SYSTEMATIC NAME: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hexan-3-ol bromide
MOLECULAR FORMULA: C19H32BrNO
MOLECULAR WEIGHT: 370.36748
SMILES: CC(C)C(C1=CC=CC=C1)C(CC[N+]2(CCCCC2)C)O.[Br-]
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Product OPENEYE NAME: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hexan-3-ol
CAS Name: 5-methyl-1-(1-methyl-1-piperidin-1-iumyl)-4-phenyl-3-hexanol
IUPAC NAME: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol
SYSTEMATIC NAME: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenyl-hexan-3-ol
MOLECULAR FORMULA: C19H32NO+
MOLECULAR WEIGHT: 290.46348
SMILES: CC(C)C(C1=CC=CC=C1)C(CC[N+]2(CCCCC2)C)O
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Product OPENEYE NAME: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one
CAS Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C28H34O15
MOLECULAR WEIGHT: 610.56056
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
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Product OPENEYE NAME: 3-acetyl-2-hydroxy-6-methyl-pyran-4-one
CAS Name: 3-acetyl-2-hydroxy-6-methyl-4-pyranone
IUPAC NAME: 3-acetyl-2-hydroxy-6-methylpyran-4-one
SYSTEMATIC NAME: 3-ethanoyl-6-methyl-2-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: CC1=CC(=O)C(=C(O1)O)C(=O)C
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Product OPENEYE NAME: [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate
CAS Name: [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate
IUPAC NAME: [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate
SYSTEMATIC NAME: [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate
MOLECULAR FORMULA: C12H17N2O4P
MOLECULAR WEIGHT: 284.248141
SMILES: CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O
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Product OPENEYE NAME: 7-(3-methylbut-2-enyl)purin-6-amine
CAS Name: 7-(3-methylbut-2-enyl)-6-purinamine
IUPAC NAME: 7-(3-methylbut-2-enyl)purin-6-amine
SYSTEMATIC NAME: 7-(3-methylbut-2-enyl)purin-6-amine
MOLECULAR FORMULA: C10H13N5
MOLECULAR WEIGHT: 203.24372
SMILES: CC(=CCN1C=NC2=C1C(=NC=N2)N)C
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Product OPENEYE NAME: 7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
CAS Name: 7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
IUPAC NAME: 7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
SYSTEMATIC NAME: 7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: C1CN2CC=C(C2C1O)CO
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Product OPENEYE NAME: [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
CAS Name: 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [7-(2-methyl-1-oxobut-2-enoxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
IUPAC NAME: [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
SYSTEMATIC NAME: [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-hydroxyethyl)-3-methyl-2,3-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C20H31NO7
MOLECULAR WEIGHT: 397.46264
SMILES: CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O
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