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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C32H29N5O2 MolecularWeight: 515.60496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C32H29N5O2/c1-35-30-29(31(38)34-32(35)39)37(21-26-17-10-16-25-15-8-9-18-27(25)26)28(33-30)22-36(19-23-11-4-2-5-12-23)20-24-13-6-3-7-14-24/h2-18H,19-22H2,1H3,(H,34,38,39)