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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC3=CC=CC=C3F)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC3=CC=CC=C3F)N(C1=O)C

InChI

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