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

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(cyanomethylamino)-2-oxoethyl]thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(cyanomethylamino)-2-keto-ethyl]thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-7(2)11-16-8(3)10(13(19)20)12(17-11)21-6-9(18)15-5-4-14/h7H,5-6H2,1-3H3,(H,15,18)(H,19,20)