8-(4-chlorophenyl)sulfanyl-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)sulfanyl-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chlorophenyl)sulfanyl-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)thio]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenyl)sulfanyl-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-chlorophenyl)thio]-7-(2,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C20H15Cl3N4O2S MolecularWeight: 481.7827

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)Cl)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)Cl)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H15Cl3N4O2S/c1-25-17-16(18(28)26(2)20(25)29)27(10-11-3-4-13(22)9-15(11)23)19(24-17)30-14-7-5-12(21)6-8-14/h3-9H,10H2,1-2H3