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

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O3S/c1-4-5-14-10(17)7(2)19-11(18)9-8(13)6-15-12(16-9)20-3/h4,6-7H,1,5H2,2-3H3,(H,14,17)