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

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl butanoate Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S/c1-3-4-15(24)25-10-9-21-17-14(11-20)16(22-18(23-17)26-2)12-5-7-13(19)8-6-12/h5-8H,3-4,9-10H2,1-2H3,(H,21,22,23)