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

Systemtic Name: 8-chloranyl-7-[2-(2-fluorophenyl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(2-fluorophenyl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-[(2-fluorophenyl)thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(2-fluorophenyl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-[(2-fluorophenyl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C15H14ClFN4O2S MolecularWeight: 368.813663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCSC3=CC=CC=C3F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCSC3=CC=CC=C3F

InChI

InChI=1S/C15H14ClFN4O2S/c1-19-12-11(13(22)20(2)15(19)23)21(14(16)18-12)7-8-24-10-6-4-3-5-9(10)17/h3-6H,7-8H2,1-2H3