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

Systemtic Name: 3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-7-[2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-7-[2-hydroxy-3-(2-naphthoxy)propyl]-3-methyl-xanthine Formula: C30H32N6O4 MolecularWeight: 540.61288

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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)CC(COC5=CC6=CC=CC=C6C=C5)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC(COC5=CC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C30H32N6O4/c1-33-27-26(28(38)32-30(33)39)36(19-24(37)20-40-25-12-11-22-9-5-6-10-23(22)17-25)29(31-27)35-15-13-34(14-16-35)18-21-7-3-2-4-8-21/h2-12,17,24,37H,13-16,18-20H2,1H3,(H,32,38,39)