M. Mamarakhmonov, L. I. Belen’kii, N. D. Chuvylkin
Oct 1, 2003
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Journal
Chemistry of Heterocyclic Compounds
Abstract
The relative stability in the gas phase and the most probable reaction centers for electrophilic attack for the tautomers of pyrimidin-2,4-dione, 2-thioxo-, 2-selenoxo-, 2-amino-, and 2-acetylaminopyrimidin-4-ones, and their 6-methyl- and 6-phenyl derivatives have been investigated on the basis of the results of quantum-chemical calculations, using the semi-empirical PM3 method, without taking solvent effects into account.