8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-1,3,9-trimethyl-xanthine Formula: C15H14ClFN4O2S MolecularWeight: 368.813663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C15H14ClFN4O2S/c1-19-12-11(13(22)21(3)15(23)20(12)2)18-14(19)24-7-8-9(16)5-4-6-10(8)17/h4-6H,7H2,1-3H3