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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C12H16ClN3O3S MolecularWeight: 317.79174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O3S/c1-4-7(2)15-9(17)6-19-11(18)10-8(13)5-14-12(16-10)20-3/h5,7H,4,6H2,1-3H3,(H,15,17)