4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(cyanomethylamino)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(cyanomethylamino)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NCC#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NCC#N)C(=O)O

InChI

InChI=1S/C11H12N4O3S/c1-6-9(11(17)18)10(15-7(2)14-6)19-5-8(16)13-4-3-12/h4-5H2,1-2H3,(H,13,16)(H,17,18)