2-[2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-yl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-yl]sulfanylpropanoic acid Openeye Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-yl]sulfanylpropanoic acid CAS Name: 2-[[2-[(2-fluorophenyl)methylthio]-6-phenyl-4-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-phenylpyrimidin-4-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-[(2-fluorobenzyl)thio]-6-phenyl-pyrimidin-4-yl]thio]propionic acid Formula: C20H17FN2O2S2 MolecularWeight: 400.489583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H17FN2O2S2/c1-13(19(24)25)27-18-11-17(14-7-3-2-4-8-14)22-20(23-18)26-12-15-9-5-6-10-16(15)21/h2-11,13H,12H2,1H3,(H,24,25)