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

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(cyanomethylamino)-2-oxoethyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(cyanomethylamino)-2-keto-ethyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NCC#N)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NCC#N)C(=O)O)C

InChI

InChI=1S/C12H14N4O3S/c1-3-8-15-7(2)10(12(18)19)11(16-8)20-6-9(17)14-5-4-13/h3,5-6H2,1-2H3,(H,14,17)(H,18,19)