3-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-2-methyl-propanoic acid CAS Name: 3-[2-[(4-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-2-methylpropanoic acid IUPAC Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-2-methylpropanoic acid Traditional Name: 3-[2-[(4-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-2-methyl-propionic acid Formula: C16H17FN2O3S MolecularWeight: 336.381183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(C)C(=O)O

InChI

InChI=1S/C16H17FN2O3S/c1-9(15(21)22)7-13-10(2)18-16(19-14(13)20)23-8-11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,21,22)(H,18,19,20)