2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl propanoate

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl propanoate Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl propanoate CAS Name: propanoic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]ethyl propanoate Traditional Name: propionic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CCC(=O)OCCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C17H17ClN4O2S/c1-3-14(23)24-9-8-20-16-13(10-19)15(21-17(22-16)25-2)11-4-6-12(18)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,20,21,22)