[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H16ClN3O3S MolecularWeight: 317.79174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C12H16ClN3O3S/c1-6(2)15-10(17)7(3)19-11(18)9-8(13)5-14-12(16-9)20-4/h5-7H,1-4H3,(H,15,17)