2-[2-[(4-fluorophenyl)methylsulfanyl]-5,6-dimethyl-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5,6-dimethyl-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5,6-dimethyl-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5,6-dimethyl-4-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5,6-dimethyl-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5,6-dimethyl-pyrimidin-1-yl]acetic acid Formula: C15H15FN2O3S MolecularWeight: 322.354603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15FN2O3S/c1-9-10(2)18(7-13(19)20)15(17-14(9)21)22-8-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,19,20)