2,4-dimethyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-keto-2-morpholino-ethyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCOCC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCOCC2)C(=O)O

InChI

InChI=1S/C13H17N3O4S/c1-8-11(13(18)19)12(15-9(2)14-8)21-7-10(17)16-3-5-20-6-4-16/h3-7H2,1-2H3,(H,18,19)