3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[4-(1-naphthylmethyl)piperazino]xanthine Formula: C28H28N6O2 MolecularWeight: 480.56092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C28H28N6O2/c1-31-25-24(26(35)30-28(31)36)34(18-20-8-3-2-4-9-20)27(29-25)33-16-14-32(15-17-33)19-22-12-7-11-21-10-5-6-13-23(21)22/h2-13H,14-19H2,1H3,(H,30,35,36)