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

Systemtic Name: 3-[2-[bis(fluoranyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-(difluoromethylthio)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-(difluoromethylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C9H10F2N2O3S MolecularWeight: 264.249106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10F2N2O3S/c1-4-5(2-3-6(14)15)7(16)13-9(12-4)17-8(10)11/h8H,2-3H2,1H3,(H,14,15)(H,12,13,16)