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

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCOC(=O)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCOC(=O)C(C)(C)C)C#N

InChI

InChI=1S/C20H24N4O2S/c1-13-6-8-14(9-7-13)16-15(12-21)17(24-19(23-16)27-5)22-10-11-26-18(25)20(2,3)4/h6-9H,10-11H2,1-5H3,(H,22,23,24)