8-(1H-benzimidazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(1H-benzimidazol-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(1H-benzimidazol-2-ylthio)-7-(4-chlorobenzyl)-3-methyl-xanthine Formula: C20H15ClN6O2S MolecularWeight: 438.8901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H15ClN6O2S/c1-26-16-15(17(28)25-19(26)29)27(10-11-6-8-12(21)9-7-11)20(24-16)30-18-22-13-4-2-3-5-14(13)23-18/h2-9H,10H2,1H3,(H,22,23)(H,25,28,29)