3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoic acid

Systemtic Name: 3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoic acid Openeye Name: 3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoic acid CAS Name: 3-(2-fluorophenyl)-2,2-dimethyl-3-[4-(methylthio)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-(2-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfanylpyrimidin-5-yl)propanoic acid Traditional Name: 3-(2-fluorophenyl)-2,2-dimethyl-3-[4-(methylthio)pyrimidin-5-yl]propionic acid Formula: C16H17FN2O2S MolecularWeight: 320.381783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=CC=C1F)C2=CN=CN=C2SC)C(=O)O

Isomeric SMILES

CC(C)(C(C1=CC=CC=C1F)C2=CN=CN=C2SC)C(=O)O

InChI

InChI=1S/C16H17FN2O2S/c1-16(2,15(20)21)13(10-6-4-5-7-12(10)17)11-8-18-9-19-14(11)22-3/h4-9,13H,1-3H3,(H,20,21)