1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylbenzyl)amino]-7-(1-naphthylmethyl)xanthine Formula: C26H25N5O2 MolecularWeight: 439.509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C26H25N5O2/c1-17-11-13-18(14-12-17)15-27-25-28-23-22(24(32)30(3)26(33)29(23)2)31(25)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-14H,15-16H2,1-3H3,(H,27,28)