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

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl butanoate Openeye Name: 2-[[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl butanoate CAS Name: butanoic acid 2-[[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl butanoate Traditional Name: butyric acid 2-[[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-4-5-16(24)25-11-10-21-18-15(12-20)17(22-19(23-18)26-3)14-8-6-13(2)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,21,22,23)