3-methyl-2,6-bis(oxidanylidene)-N,1-bis(phenylmethyl)-7H-purine-8-carboxamide

Systemtic Name: 3-methyl-2,6-bis(oxidanylidene)-N,1-bis(phenylmethyl)-7H-purine-8-carboxamide Openeye Name: N,1-dibenzyl-3-methyl-2,6-dioxo-7H-purine-8-carboxamide CAS Name: 3-methyl-2,6-dioxo-N,1-bis(phenylmethyl)-7H-purine-8-carboxamide IUPAC Name: N,1-dibenzyl-3-methyl-2,6-dioxo-7H-purine-8-carboxamide Traditional Name: N,1-dibenzyl-2,6-diketo-3-methyl-7H-purine-8-carboxamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-25-18-16(20(28)26(21(25)29)13-15-10-6-3-7-11-15)23-17(24-18)19(27)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,22,27)(H,23,24)