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

Systemtic Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[[4-(3-chlorophenyl)piperazino]methyl]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C28H27ClN6O2 MolecularWeight: 515.00598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN6O2/c1-32-26-25(27(36)31-28(32)37)35(17-20-8-4-7-19-6-2-3-11-23(19)20)24(30-26)18-33-12-14-34(15-13-33)22-10-5-9-21(29)16-22/h2-11,16H,12-15,17-18H2,1H3,(H,31,36,37)