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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 2-[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:

CC(C1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O)C(=O)O

Isomeric SMILES

CC(C1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O)C(=O)O

InChI

InChI=1S/C14H13FN2O4S/c1-7(13(20)21)10-11(18)16-14(17-12(10)19)22-6-8-2-4-9(15)5-3-8/h2-5,7H,6H2,1H3,(H,20,21)(H2,16,17,18,19)