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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-naphthyloxy)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-naphthoxy)propyl]-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C30H32N6O5 MolecularWeight: 556.61228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N6O5/c1-33-27-26(28(38)32-30(33)39)36(18-23(37)19-41-25-10-7-20-5-3-4-6-21(20)17-25)29(31-27)35-15-13-34(14-16-35)22-8-11-24(40-2)12-9-22/h3-12,17,23,37H,13-16,18-19H2,1-2H3,(H,32,38,39)