9-(3-methoxyphenyl)-7-methyl-2-(4-methylphenyl)-8-oxidanylidene-purine-6-carboxamide

Systemtic Name: 9-(3-methoxyphenyl)-7-methyl-2-(4-methylphenyl)-8-oxidanylidene-purine-6-carboxamide Openeye Name: 9-(3-methoxyphenyl)-7-methyl-8-oxo-2-(p-tolyl)purine-6-carboxamide CAS Name: 9-(3-methoxyphenyl)-7-methyl-2-(4-methylphenyl)-8-oxo-6-purinecarboxamide IUPAC Name: 9-(3-methoxyphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide Traditional Name: 8-keto-9-(3-methoxyphenyl)-7-methyl-2-(p-tolyl)purine-6-carboxamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC(=CC=C4)OC)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC(=CC=C4)OC)C(=O)N

InChI

InChI=1S/C21H19N5O3/c1-12-7-9-13(10-8-12)19-23-16(18(22)27)17-20(24-19)26(21(28)25(17)2)14-5-4-6-15(11-14)29-3/h4-11H,1-3H3,(H2,22,27)