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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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