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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5Cl

InChI

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