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1,3,5-Triazine derivatives have a wide range of biological and pharmaceutical activities. According to the extensive application of this compounds, 3-(4-chloro-6-(4-morpholinophenyl)amino)-1,3,5-triazin-2-yl)amino)- N -methylthiophene-2-formamide was synthesized and characterized by  1 H-NMR,  13 C-NMR, HRMS, FT-IR, and single crystal X-ray diffraction. Moreover, density functional theory (DFT) calculations of this compound were carried out at B3LYP/6-311 level. The result indicated that the crystal structure was orthorhombic crystal system. Moreover, the biological activity of this compound was evaluated as novel FAK inhibitor.

molecular crystals and liquid crystals

Synthesis, crystal structure, DFT calculation and biological activity of 3-((4-chloro-6-((4-morpholinophenyl)amino)-1,3,5-triazin-2-yl)amino)- N -methylthiophene-2-carboxamide