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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-3-methyl-8-[4-(1-naphthylmethyl)piperazino]xanthine Formula: C28H27FN6O2 MolecularWeight: 498.551383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CC6=CC=CC=C6F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CC6=CC=CC=C6F

InChI

InChI=1S/C28H27FN6O2/c1-32-25-24(26(36)31-28(32)37)35(18-21-8-3-5-12-23(21)29)27(30-25)34-15-13-33(14-16-34)17-20-10-6-9-19-7-2-4-11-22(19)20/h2-12H,13-18H2,1H3,(H,31,36,37)