9-cyclohexyl-2-(3-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxylic acid

Systemtic Name: 9-cyclohexyl-2-(3-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxylic acid Openeye Name: 9-cyclohexyl-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxylic acid CAS Name: 9-cyclohexyl-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxylic acid IUPAC Name: 9-cyclohexyl-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxylic acid Traditional Name: 9-cyclohexyl-8-keto-2-(3-methoxyphenyl)-7H-purine-6-carboxylic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4CCCCC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4CCCCC4)C(=O)O

InChI

InChI=1S/C19H20N4O4/c1-27-13-9-5-6-11(10-13)16-20-15(18(24)25)14-17(22-16)23(19(26)21-14)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,21,26)(H,24,25)