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

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl ethanoate Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2S/c1-10(22)23-8-7-19-15-13(9-18)14(20-16(21-15)24-2)11-3-5-12(17)6-4-11/h3-6H,7-8H2,1-2H3,(H,19,20,21)