Investigations on crystal structure of a novel 3-((4,6-dimethylpyrimidin-2-yl)amino)isobenzofuran-1(3H)-one, and related theoretical studies

Keyphrases

• 1,1-diphenyl-2-picrylhydrazyl 33%
• 2-Amino-4,6-dichloropyrimidine 33%
• Absorption Titration 33%
• Alkyl 33%
• Amino 100%
• Antioxidant Activity 33%
• B3LYP 33%
• Binding Affinity 33%
• Binding Constant 33%
• Binding Interaction 33%
• Binding Mode 33%
• Binding Strength 33%
• Chelating Properties 33%
• Content Assay 33%
• Diffraction Methods 33%
• DNA Complex 33%
• Electronic Absorption 33%
• Electronic Properties 33%
• Ferric Reducing Antioxidant Power 33%
• Ferrous Ion Chelating 33%
• Free Radical Scavenging 33%
• Groove Binding 33%
• Hybrid Functional 33%
• Hydrogen Bonds (H-bonds) 33%
• Isobenzofuran-1(3H)-one 100%
• Low Energy 66%
• Measurement Results 33%
• Minor Groove 66%
• Molecular Docking Calculations 66%
• Nuclear Magnetic Resonance 33%
• P-base 33%
• Partial Intercalation 33%
• Phthalaldehydic Acid 33%
• Single Crystal X-ray Analysis 33%
• Single Crystal X-ray Diffraction (SCXRD) 33%
• Single-stranded DNA (ssDNA) 100%
• Structural Properties 33%
• Thermal Denaturation 33%
• Total Phenolic Content 33%
• Triclinic 33%
• Unit Cell Parameters 33%
• Viscosity 33%

Chemistry

• Antioxidant Agent 33%
• Antioxidant Capacity 33%
• Crystal Structure 100%
• Denaturation 33%
• Deoxyribonucleic Acid 100%
• DFT-B3LYP Calculation 33%
• Double-Stranded DNA 100%
• Electronic Property 33%
• Free Radical 33%
• Kd 66%
• NMR Spectroscopy 33%
• Pair-Base 33%
• Single Crystal X-Ray Diffraction 33%
• Single Crystal X-Ray Diffraction 33%
• Structure 33%
• Titration 33%
• Triclinic Space Group 33%
• Unit Cell Parameter 33%