1-[(4-methylphenyl)methyl]-2-oxidanylidene-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide

Systemtic Name: 1-[(4-methylphenyl)methyl]-2-oxidanylidene-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide Openeye Name: 2-oxo-1-(p-tolylmethyl)-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide CAS Name: 1-[(4-methylphenyl)methyl]-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide IUPAC Name: 1-[(4-methylphenyl)methyl]-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide Traditional Name: 2-keto-1-(4-methylbenzyl)-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide Formula: C22H17N7O2 MolecularWeight: 411.41608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC=N3)C=C(C2=O)C(=O)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC=N3)C=C(C2=O)C(=O)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H17N7O2/c1-13-4-6-14(7-5-13)10-29-20-15(3-2-8-23-20)9-16(22(29)31)21(30)28-19-17-18(25-11-24-17)26-12-27-19/h2-9,11-12H,10H2,1H3,(H2,24,25,26,27,28,30)