2-(4-methylphenyl)-8-oxidanylidene-9-phenethyl-7H-purine-6-carboxamide

Systemtic Name: 2-(4-methylphenyl)-8-oxidanylidene-9-phenethyl-7H-purine-6-carboxamide Openeye Name: 8-oxo-9-phenethyl-2-(p-tolyl)-7H-purine-6-carboxamide CAS Name: 2-(4-methylphenyl)-8-oxo-9-phenethyl-7H-purine-6-carboxamide IUPAC Name: 2-(4-methylphenyl)-8-oxo-9-phenethyl-7H-purine-6-carboxamide Traditional Name: 8-keto-9-phenethyl-2-(p-tolyl)-7H-purine-6-carboxamide Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H19N5O2/c1-13-7-9-15(10-8-13)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,22,27)(H,24,28)