2-[4-[bis(fluoranyl)methyl]-6-phenyl-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-phenyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(difluoromethyl)-6-phenyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(difluoromethyl)-6-phenyl-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(difluoromethyl)-6-phenylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(difluoromethyl)-6-phenyl-pyrimidin-2-yl]thio]acetic acid Formula: C13H10F2N2O2S MolecularWeight: 296.292506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)F

InChI

InChI=1S/C13H10F2N2O2S/c14-12(15)10-6-9(8-4-2-1-3-5-8)16-13(17-10)20-7-11(18)19/h1-6,12H,7H2,(H,18,19)