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

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1H-benzimidazol-2-ylthio)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1H-benzimidazol-2-ylthio)-7-(2-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C21H17ClN6O2S MolecularWeight: 452.91668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5Cl

InChI

InChI=1S/C21H17ClN6O2S/c1-26-17-16(18(29)27(2)21(26)30)28(11-12-7-3-4-8-13(12)22)20(25-17)31-19-23-14-9-5-6-10-15(14)24-19/h3-10H,11H2,1-2H3,(H,23,24)