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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c1-6(2)10-13-7(3)9(12(16)17)11(14-10)19-5-8(15)18-4/h6H,5H2,1-4H3,(H,16,17)