7-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(2,5-dichlorophenyl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-[(2,5-dichlorophenyl)thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(2,5-dichlorophenyl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-[(2,5-dichlorophenyl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C15H13Cl3N4O2S MolecularWeight: 419.71332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13Cl3N4O2S/c1-20-12-11(13(23)21(2)15(20)24)22(14(18)19-12)5-6-25-10-7-8(16)3-4-9(10)17/h3-4,7H,5-6H2,1-2H3