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

Systemtic Name: 7-ethyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-[(2-fluorophenyl)methylthio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-[(2-fluorobenzyl)thio]-1,3-dimethyl-xanthine Formula: C16H17FN4O2S MolecularWeight: 348.395183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H17FN4O2S/c1-4-21-12-13(19(2)16(23)20(3)14(12)22)18-15(21)24-9-10-7-5-6-8-11(10)17/h5-8H,4,9H2,1-3H3