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

Systemtic Name: 2-ethyl-4-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-(4-methoxy-4-oxo-butyl)sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-[(4-methoxy-4-oxobutyl)thio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-(4-methoxy-4-oxobutyl)sulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[(4-keto-4-methoxy-butyl)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)SCCCC(=O)OC)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-4-9-14-8(2)11(13(17)18)12(15-9)20-7-5-6-10(16)19-3/h4-7H2,1-3H3,(H,17,18)