4-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(difluoromethyl)-2-imidazolyl]methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[[1-(difluoromethyl)imidazol-2-yl]methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H10F2N4O3S MolecularWeight: 316.283906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=NC=CN2C(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=NC=CN2C(F)F)C(=O)O

InChI

InChI=1S/C11H10F2N4O3S/c1-5-7(9(18)19)8(16-11(20)15-5)21-4-6-14-2-3-17(6)10(12)13/h2-3,10H,4H2,1H3,(H,18,19)(H,15,16,20)