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

Systemtic Name: ethyl 4-(chloromethyl)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(chloromethyl)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(chloromethyl)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(chloromethyl)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(chloromethyl)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C9H11ClN2O2S MolecularWeight: 246.71384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CCl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CCl)SC

InChI

InChI=1S/C9H11ClN2O2S/c1-3-14-8(13)6-5-11-9(15-2)12-7(6)4-10/h5H,3-4H2,1-2H3