4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-ethoxy-2-oxoethyl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-ethoxy-2-oxoethyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-ethoxy-2-keto-ethyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c1-4-8-13-7(3)10(12(16)17)11(14-8)19-6-9(15)18-5-2/h4-6H2,1-3H3,(H,16,17)