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

Systemtic Name: 8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[(2-fluorophenyl)methylsulfanyl]-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-fluorophenyl)methylthio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[(2-fluorobenzyl)thio]-7-isopropyl-1,3-dimethyl-xanthine Formula: C17H19FN4O2S MolecularWeight: 362.421763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H19FN4O2S/c1-10(2)22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-9-11-7-5-6-8-12(11)18/h5-8,10H,9H2,1-4H3