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

Systemtic Name: 2-ethyl-4-methyl-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-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-tert-butoxy-2-keto-ethyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)OC(C)(C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)OC(C)(C)C)C(=O)O)C

InChI

InChI=1S/C14H20N2O4S/c1-6-9-15-8(2)11(13(18)19)12(16-9)21-7-10(17)20-14(3,4)5/h6-7H2,1-5H3,(H,18,19)