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

Systemtic Name: 8-chloranyl-7-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-[(4-chlorophenyl)thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-[(4-chlorophenyl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C15H14Cl2N4O2S MolecularWeight: 385.26826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H14Cl2N4O2S/c1-19-12-11(13(22)20(2)15(19)23)21(14(17)18-12)7-8-24-10-5-3-9(16)4-6-10/h3-6H,7-8H2,1-2H3