2-(3-methylphenyl)-8-oxidanylidene-9-phenethyl-7H-purine-6-carboxamide

Systemtic Name: 2-(3-methylphenyl)-8-oxidanylidene-9-phenethyl-7H-purine-6-carboxamide Openeye Name: 2-(m-tolyl)-8-oxo-9-phenethyl-7H-purine-6-carboxamide CAS Name: 2-(3-methylphenyl)-8-oxo-9-phenethyl-7H-purine-6-carboxamide IUPAC Name: 2-(3-methylphenyl)-8-oxo-9-phenethyl-7H-purine-6-carboxamide Traditional Name: 8-keto-2-(m-tolyl)-9-phenethyl-7H-purine-6-carboxamide Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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