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

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2-methylpropanoate Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[[6-(4-tert-butylphenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[[6-(4-tert-butylphenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-14(2)20(27)28-12-11-24-19-17(13-23)18(25-21(26-19)29-6)15-7-9-16(10-8-15)22(3,4)5/h7-10,14H,11-12H2,1-6H3,(H,24,25,26)