9-(1,3-benzodioxol-5-yl)-7-methyl-2-(3-methylphenyl)-8-oxidanylidene-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-2-(3-methylphenyl)-8-oxidanylidene-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-2-(m-tolyl)-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-2-(3-methylphenyl)-8-oxo-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-2-(3-methylphenyl)-8-oxopurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-7-methyl-2-(m-tolyl)purine-6-carboxamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C21H17N5O4/c1-11-4-3-5-12(8-11)19-23-16(18(22)27)17-20(24-19)26(21(28)25(17)2)13-6-7-14-15(9-13)30-10-29-14/h3-9H,10H2,1-2H3,(H2,22,27)