4-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

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

Isomeric SMILES

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

InChI

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