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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-(2-hydroxyethyl)-4-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-5-(2-hydroxyethyl)-4-keto-pyrimidin-1-yl]acetic acid Formula: C15H15FN2O4S MolecularWeight: 338.354003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15FN2O4S/c16-12-3-1-10(2-4-12)9-23-15-17-14(22)11(5-6-19)7-18(15)8-13(20)21/h1-4,7,19H,5-6,8-9H2,(H,20,21)