Sep 2026
Synthesis, Crystal Structure, DFT, MEP, FMOs, Hirshfeld Analysis and Antitumor Activity Assay of 4-[(4-Fluorophenyl)amino]-6-pentylpyrido[4,3-d]pyrimidin-5(6H)-one
The results demonstrated that the DFT-optimized molecular structure is in good agreement with the crystal structure measured by X-ray single-crystal diffraction, thereby validating the reliability of the theoretical calculations.
Wei Zeng, Run-Tao Guo, Lan Jin et al.
· Russian journal of general c... · 0 citations