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

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2-methylpropanoate Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S/c1-11(2)17(24)25-9-8-21-16-14(10-20)15(22-18(23-16)26-3)12-4-6-13(19)7-5-12/h4-7,11H,8-9H2,1-3H3,(H,21,22,23)