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

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl ethanoate Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[[6-(4-tert-butylphenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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