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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H29N5O2/c1-32-26-25(27(35)31-29(32)36)34(19-23-12-7-11-22-10-5-6-13-24(22)23)28(30-26)33-16-14-21(15-17-33)18-20-8-3-2-4-9-20/h2-13,21H,14-19H2,1H3,(H,31,35,36)