ethyl 4-(2-chloranylethanoylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-chloranylethanoylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2-chloroacetyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(2-chloro-1-oxoethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloroacetyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(2-chloroacetyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C10H12ClN3O3S MolecularWeight: 289.73858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)CCl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)CCl)SC

InChI

InChI=1S/C10H12ClN3O3S/c1-3-17-9(16)6-5-12-10(18-2)14-8(6)13-7(15)4-11/h5H,3-4H2,1-2H3,(H,12,13,14,15)