The structure, spectroscopic features, and pharmaceutical effect of N?-(4-Methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide (MBPPC) has been studied by DFT modeling, X-ray diffraction, FT-IR, 1 H 13 C NMR, molecular docking investigation. Molecular structure analysis was carried out using calculation. Then, the low RMSD value indicates good agreement between calculated observed data. In...

In the crystal structure of the title compound, C(19)H(18)N(4)O(3), the fused-ring system is essentially planar [maximum deviation is 0.031 (2) Å] while the dihedral angle between the ring system and the benzene ring is 12.64 (6)°.The carbohydrazide H atom is involved in an intra-molecular N-H⋯O hydrogen bond, forming a six-membered hydrogen-bonded ring. The mol-ecules arrange themselves into c...

5-Formyl-6-aminopyrimidine-2,4-(1H, 3H)-dione (2) has been previously prepared fromcompound 1. Cyclocondensation reaction of compound 2 with cyanoacetamide gave substituted pyridopyrimidine 3. Also, compound 2 was condensed with p-amino acetophenone and hydrazine derivatives to give 5-([(4-acetylphenyl)imino]methyl)-6-aminopyrimidine (4) and 5-substituted carboaldehyde-6-amino pyrimidine deriva...