1-[3-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[1-(3-fluorophenyl)-5-tetrazolyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[1-(3-fluorophenyl)tetrazol-5-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C17H17FN8O2S MolecularWeight: 416.432683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=NN3C4=CC(=CC=C4)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=NN3C4=CC(=CC=C4)F

InChI

InChI=1S/C17H17FN8O2S/c1-23-10-19-14-13(23)15(27)25(17(28)24(14)2)7-4-8-29-16-20-21-22-26(16)12-6-3-5-11(18)9-12/h3,5-6,9-10H,4,7-8H2,1-2H3