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

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[[6-(4-tert-butylphenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-22(2,3)16-10-8-15(9-11-16)18-17(14-24)19(27-21(26-18)30-7)25-12-13-29-20(28)23(4,5)6/h8-11H,12-13H2,1-7H3,(H,25,26,27)