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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

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