2,4-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-tert-butoxy-2-keto-ethyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-7-10(12(17)18)11(15-8(2)14-7)20-6-9(16)19-13(3,4)5/h6H2,1-5H3,(H,17,18)