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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazino]methyl]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C29H30N6O3 MolecularWeight: 510.5869

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H30N6O3/c1-32-27-26(28(36)31-29(32)37)35(18-21-8-5-7-20-6-3-4-9-24(20)21)25(30-27)19-33-14-16-34(17-15-33)22-10-12-23(38-2)13-11-22/h3-13H,14-19H2,1-2H3,(H,31,36,37)