2 Pyrimidine derivatives with antitubercular activity Pyrimidine (also known as 1,3-diazine, according to Hantzsch-Widman nomenclature) is a six-membered heterocyclic compound with less basic properties and a lower solubility profile than pyridine. Substituted pyrimidines can be found in many natural ...
The molecular structure of the compound belongs to C1 point group symmetry. The optimized structure parameters were calculated and listed in the Table .1. The optimized geometric structure with numbering of atoms of the compound is shown in Fig. 1. Table 1 displays the calculated bond lengths an...
To provide a simple characteris- ation of the nonplanarity of the energy-minimisedstructures in terms of helical twisting, the notional spatial torsion was determined for selected pairs of atoms with respect to the line between C-5 and S-6 (see structure 6 for...
Said mixture may contain all diastereomers and/or enantiomers of the basic molecular structure of said compound. All stereochemically isomeric forms of the compounds of the present invention both in pure form or in admixture with each other are intended to be embraced within the scope of the ...
1. The molecular structure of the title compound, showing 30% probability displacementellipsoids and the atom-numbering scheme. The minor part of the disordered moieties wereomitted for clarity.Fig. 2. A packing diagram of the title compound. Intermolecular hydrogen bonds are shownas dashed lines....
The crystal structures of several Fpg–DNA complexes have been solved, yet no structure with A opposite the lesion is available. Results Here we use molecular dynamic simulation to model interactions in the pre-catalytic complex of Lactococcus lactis Fpg with DNA containing oxoG opposite C or A,...
,, andare the principal pyrimidines which constitute,, andand the corresponding deoxynucleosides. Cytosine and thymine are the building blocks of DNA, while cytosine andare found in RNA. The pyrimidine ring has a planar structure, this helps in stacking interactions withbases. Pyrimidine pairs with...
Ph3SnL(MeOH) presents a trigonal bipyramidal structure with the organic groups on the equatorial plane and the axial positions occupied by a ligand molecule, coordinated to tin through the carboxylate, and a solvent molecule, MeOH. A similar structure is proposed for Me3SnL(H2O) on the basis...