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

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1H-benzimidazol-2-ylthio)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1H-benzimidazol-2-ylthio)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C21H16Cl2N6O2S MolecularWeight: 487.36174

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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=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H16Cl2N6O2S/c1-27-17-16(18(30)28(2)21(27)31)29(10-11-7-8-12(22)9-13(11)23)20(26-17)32-19-24-14-5-3-4-6-15(14)25-19/h3-9H,10H2,1-2H3,(H,24,25)