3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-xanthine Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2/c1-22-18-17(23(14-21-18)12-15-8-4-2-5-9-15)19(25)24(20(22)26)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3