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

Systemtic Name: 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-ethoxy-2-oxoethyl)thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-ethoxy-2-oxoethyl)sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-ethoxy-2-keto-ethyl)thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

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