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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C11H14ClN3O3S MolecularWeight: 303.76516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O3S/c1-6(2)14-8(16)5-18-10(17)9-7(12)4-13-11(15-9)19-3/h4,6H,5H2,1-3H3,(H,14,16)