Structure of N-(3,4-Dimethoxyphenyl)pyrido[3′,2′:4,5]-thieno[3,2-d]pyrimidin-4-amine, a New Inhibitor of CLK1 and DYRK1A Kinases

Table 1

Crystallographic data and structure refinement details.

Chemical formula	C17H14N4O2S
Formula weight	338.38
Temperature (K)	293 (2)
Wavelength (Å)	1.54180
Crystal size (mm)	0.10×0.10×0.01
Crystal system	Orthorhombic
Space group	Pca21
𝑎 (Å)	13.1593 (9)
𝑏 (Å)	13.9823 (10)
𝑐 (Å)	8.5403 (7)
𝛼 (°)	90
𝛽 (°)	90
𝛾 (°)	90
𝑉 (Å^3)	1571.4 (2)
Z	4
Dc (g/cm^3)	1.430
𝐹 (000)	704
Absorption coeff. (mm^−1)	1.987
𝜃 range (°)	6.73–72.00
Index ranges	−16≤ℎ≤16;−17≤𝑘≤16; −10≤𝑙≤8
Reflection collected	21,370
Independent reflections	2936 [𝑅int = 0.0789]
Observed reflections	2837
Data/restraints/parameters	2936/1/219
Goodness-of-fit on 𝐹^2	1.016
𝑅,𝑤𝑅 indices [𝐼>2𝜎(𝐼)]	0.0420, 0.0960
𝑅,𝑤𝑅 indices (all data)	0.0428, 0.0972
Largest diff. peak and hole; (e Å^−3)	0.536, −0.249
Flack parameter [11]	−0.001 (18)