3-methyl-8-[(4-methylphenyl)methylamino]-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylamino]-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylamino]-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C28H27N5O2 MolecularWeight: 465.54628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c1-20-13-15-21(16-14-20)17-29-27-30-25-24(32(27)18-22-9-5-3-6-10-22)26(34)33(28(35)31(25)2)19-23-11-7-4-8-12-23/h3-16H,17-19H2,1-2H3,(H,29,30)