3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(4-fluorophenyl)methylthio]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[(4-fluorobenzyl)thio]-4-hydroxy-6-keto-1H-pyrimidin-5-yl]propionic acid Formula: C14H13FN2O4S MolecularWeight: 324.327423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=C(C(=O)N2)CCC(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=C(C(=O)N2)CCC(=O)O)O)F

InChI

InChI=1S/C14H13FN2O4S/c15-9-3-1-8(2-4-9)7-22-14-16-12(20)10(13(21)17-14)5-6-11(18)19/h1-4H,5-7H2,(H,18,19)(H2,16,17,20,21)