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Author

Lan Jin

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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. · 0 citations

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