2-(4-methoxy-3-oxidanyl-phenyl)-9-(3-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(4-methoxy-3-oxidanyl-phenyl)-9-(3-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(3-hydroxy-4-methoxy-phenyl)-9-(m-tolyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(3-hydroxy-4-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(3-hydroxy-4-methoxy-phenyl)-8-keto-9-(m-tolyl)-7H-purine-6-carboxamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)OC)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)OC)O

InChI

InChI=1S/C20H17N5O4/c1-10-4-3-5-12(8-10)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)11-6-7-14(29-2)13(26)9-11/h3-9,26H,1-2H3,(H2,21,27)(H,23,28)