3-methyl-7-(naphthalen-1-ylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(benzylamino)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C24H21N5O2 MolecularWeight: 411.45584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H21N5O2/c1-28-21-20(22(30)27-24(28)31)29(23(26-21)25-14-16-8-3-2-4-9-16)15-18-12-7-11-17-10-5-6-13-19(17)18/h2-13H,14-15H2,1H3,(H,25,26)(H,27,30,31)