Theoretical Studies of 1-(4-Substituted-5-hydroxymethyl-tetrahydro-furan-2-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione Molecule

The structural and electronic properties of 1-(4-substituted-5-hydroxymethyl-tetrahydro-furan-2-ylmethyl)-5-methyl-1Hpyrimidine-2,4-dione molecules have been investigated theoretically by performing theoretical calculations. The electronic properties and relative energies of the molecules are obtained. It was found that the 1-(5-hydroxymethyl-4-nitro-tetrahydro-furan- 2-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione molecule have approximately the same structural and electronic properties when compared with the AZT molecules