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

Systemtic Name: 2-ethyl-4-methyl-6-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-(2-isopropoxy-2-oxo-ethyl)sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[(2-oxo-2-propan-2-yloxyethyl)thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-(2-oxo-2-propan-2-yloxyethyl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[(2-isopropoxy-2-keto-ethyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-5-9-14-8(4)11(13(17)18)12(15-9)20-6-10(16)19-7(2)3/h7H,5-6H2,1-4H3,(H,17,18)