8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-ethyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-ethyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-ethyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-1-ethyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-1-ethyl-3,7-dimethyl-xanthine Formula: C16H16ClFN4O2S MolecularWeight: 382.840243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC3=C(C=CC=C3Cl)F)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC3=C(C=CC=C3Cl)F)N(C1=O)C

InChI

InChI=1S/C16H16ClFN4O2S/c1-4-22-14(23)12-13(21(3)16(22)24)19-15(20(12)2)25-8-9-10(17)6-5-7-11(9)18/h5-7H,4,8H2,1-3H3