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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(phenylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(phenylthio)xanthine Formula: C20H17ClN4O2S MolecularWeight: 412.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-23-17-16(18(26)24(2)20(23)27)25(12-13-8-6-7-11-15(13)21)19(22-17)28-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3