7-[(4-chlorophenyl)methyl]-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylthio)-7-(4-chlorobenzyl)-3-methyl-xanthine Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-24-17-16(18(26)23-19(24)27)25(11-13-7-9-15(21)10-8-13)20(22-17)28-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,26,27)