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. 2023 Dec 1;8(49):47239–47253. doi: 10.1021/acsomega.3c07434

Figure 3.

Figure 3

DFT-optimized structures and HOMO/LUMO of compounds 1, 3, and 7.a The optimal molecular structures of fused pyrimidines in Table 2 are presented in Table S1 in the Supporting Information.