2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-methyl-3H-purin-6-one

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-methyl-3H-purin-6-one Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-7-methyl-3H-purin-6-one CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-7-methyl-3H-purin-6-one IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-7-methyl-3H-purin-6-one Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-7-methyl-3H-purin-6-one Formula: C14H11FN4O2S MolecularWeight: 318.326143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H11FN4O2S/c1-19-7-16-12-11(19)13(21)18-14(17-12)22-6-10(20)8-2-4-9(15)5-3-8/h2-5,7H,6H2,1H3,(H,17,18,21)