2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-(hydroxymethyl)-4-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-methylol-pyrimidin-1-yl]acetic acid Formula: C14H13FN2O4S MolecularWeight: 324.327423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2CC(=O)O)CO)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2CC(=O)O)CO)F

InChI

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