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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylsulfanyl-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-(methylthio)-4-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylsulfanyl-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(methylthio)pyrimidin-1-yl]acetic acid Formula: C14H13FN2O3S2 MolecularWeight: 340.393023

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

Isomeric SMILES

CSC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

InChI

InChI=1S/C14H13FN2O3S2/c1-21-11-6-17(7-12(18)19)14(16-13(11)20)22-8-9-2-4-10(15)5-3-9/h2-6H,7-8H2,1H3,(H,18,19)