2-[3-(hydroxymethyl)phenyl]-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-[3-(hydroxymethyl)phenyl]-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-[3-(hydroxymethyl)phenyl]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-[3-(hydroxymethyl)phenyl]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-[3-(hydroxymethyl)phenyl]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(2-methoxyphenyl)-2-(3-methylolphenyl)-7H-purine-6-carboxamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)CO

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)CO

InChI

InChI=1S/C20H17N5O4/c1-29-14-8-3-2-7-13(14)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)12-6-4-5-11(9-12)10-26/h2-9,26H,10H2,1H3,(H2,21,27)(H,23,28)