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

Systemtic Name: 8-(4-chlorophenyl)sulfanyl-7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(4-chlorophenyl)sulfanyl-7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)thio]-7-[3-[(4-chlorophenyl)thio]propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenyl)sulfanyl-7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(4-chlorophenyl)thio]-7-[3-[(4-chlorophenyl)thio]propyl]-3-methyl-xanthine Formula: C21H18Cl2N4O2S2 MolecularWeight: 493.42922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=C(C=C3)Cl)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=C(C=C3)Cl)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18Cl2N4O2S2/c1-26-18-17(19(28)25-20(26)29)27(11-2-12-30-15-7-3-13(22)4-8-15)21(24-18)31-16-9-5-14(23)6-10-16/h3-10H,2,11-12H2,1H3,(H,25,28,29)