2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxidanidyl-pyrimidin-4-yl]ethanoate

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxidanidyl-pyrimidin-4-yl]ethanoate Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxido-pyrimidin-4-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-6-oxido-4-pyrimidinyl]acetate IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxidopyrimidin-4-yl]acetate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-6-oxido-pyrimidin-4-yl]acetate Formula: C13H9FN2O3S-2 MolecularWeight: 292.285563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=CC(=N2)[O-])CC(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=CC(=N2)[O-])CC(=O)[O-])F

InChI

InChI=1S/C13H11FN2O3S/c14-9-3-1-8(2-4-9)7-20-13-15-10(6-12(18)19)5-11(17)16-13/h1-5H,6-7H2,(H,18,19)(H,15,16,17)/p-2