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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-[(4-chlorophenyl)thio]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-[(4-chlorophenyl)thio]-3,7-dimethyl-xanthine Formula: C20H16Cl2N4O2S MolecularWeight: 447.33764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H16Cl2N4O2S/c1-24-16-17(23-19(24)29-15-9-7-14(22)8-10-15)25(2)20(28)26(18(16)27)11-12-3-5-13(21)6-4-12/h3-10H,11H2,1-2H3