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

Systemtic Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl]sulfanylpropanoic acid Openeye Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-pyrimidin-4-yl]sulfanylpropanoic acid CAS Name: 2-[[2-[(2-fluorophenyl)methylthio]-5,6-dimethyl-4-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethylpyrimidin-4-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-[(2-fluorobenzyl)thio]-5,6-dimethyl-pyrimidin-4-yl]thio]propionic acid Formula: C16H17FN2O2S2 MolecularWeight: 352.446783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1SC(C)C(=O)O)SCC2=CC=CC=C2F)C

Isomeric SMILES

CC1=C(N=C(N=C1SC(C)C(=O)O)SCC2=CC=CC=C2F)C

InChI

InChI=1S/C16H17FN2O2S2/c1-9-10(2)18-16(19-14(9)23-11(3)15(20)21)22-8-12-6-4-5-7-13(12)17/h4-7,11H,8H2,1-3H3,(H,20,21)