7-methyl-1-phenyl-3,8-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-methyl-1-phenyl-3,8-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,8-dibenzyl-7-methyl-1-phenyl-purine-2,6-dione CAS Name: 7-methyl-1-phenyl-3,8-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,8-dibenzyl-7-methyl-1-phenylpurine-2,6-dione Traditional Name: 3,8-dibenzyl-7-methyl-1-phenyl-xanthine Formula: C26H22N4O2 MolecularWeight: 422.47848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2/c1-28-22(17-19-11-5-2-6-12-19)27-24-23(28)25(31)30(21-15-9-4-10-16-21)26(32)29(24)18-20-13-7-3-8-14-20/h2-16H,17-18H2,1H3