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Beilstein J. Org. Chem. 2012, 8, 266–274, doi:10.3762/bjoc.8.28
Graphical Abstract
Scheme 1: Syntheses of benzo[4,5]thieno[3,2-d]pyrimidine 5,5-dioxides (3a–f).
Scheme 2: Syntheses of 3g, 6, and 7.
Figure 1: (a) HOMO and (b) LUMO for 3a, computed with TD-DFT(B3LYP)/6-31+G(d,p). The pink (blue) lobes indica...
Figure 2: The distribution of the HOMO minus LUMO density for 3a, computed with TD-DFT(B3LYP)/6-31+G(d,p). Th...
Figure 3: Schematic diagram of 3a.