7-[(2-chlorophenyl)methyl]-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(1-naphthylmethylthio)xanthine Formula: C24H19ClN4O2S MolecularWeight: 462.95126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H19ClN4O2S/c1-28-21-20(22(30)27-23(28)31)29(13-16-8-3-5-12-19(16)25)24(26-21)32-14-17-10-6-9-15-7-2-4-11-18(15)17/h2-12H,13-14H2,1H3,(H,27,30,31)