3-[2-[bis(fluoranyl)methylsulfanyl]-4,6-dimethyl-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[bis(fluoranyl)methylsulfanyl]-4,6-dimethyl-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-(difluoromethylsulfanyl)-4,6-dimethyl-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-(difluoromethylthio)-4,6-dimethyl-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-(difluoromethylthio)-4,6-dimethyl-pyrimidin-5-yl]propionic acid Formula: C10H12F2N2O2S MolecularWeight: 262.276286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(F)F)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)SC(F)F)C)CCC(=O)O

InChI

InChI=1S/C10H12F2N2O2S/c1-5-7(3-4-8(15)16)6(2)14-10(13-5)17-9(11)12/h9H,3-4H2,1-2H3,(H,15,16)