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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-methyl-4-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-methyl-pyrimidin-1-yl]acetic acid Formula: C14H13FN2O3S MolecularWeight: 308.328023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

Isomeric SMILES

CC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

InChI

InChI=1S/C14H13FN2O3S/c1-9-6-17(7-12(18)19)14(16-13(9)20)21-8-10-2-4-11(15)5-3-10/h2-6H,7-8H2,1H3,(H,18,19)