PROLIFIC, CHARACTERIZED AND HYPOTHETICAL EVALUATION OF GUANINE DERIVATIVE 2-AMINO-9-(4-ISOPROPYLBENZYL)-1, 9-DIHYDROPURIN-6-ONE
Shanmugasundari. M1*, Vijaya. P2, Bhaskar. T3, Banumathi. N4
1Research scholar ([Reg. No. 20211172032001], ORCID: 0009-0001-0531-5859), 2,3,4Assistant ProfessorDepartment of Chemistry, Rani Anna Government College for Women, Tirunelveli-8,
Affiliated to Manonmaniam Sundaranar University, Tirunelveli – 627 012, India
ABSTRACT: Guanine is one of the derivatives that are critical building blocks for DNA and RNA. The pharmacological properties of cuminaldehyde are used in the development of new medications. The guanine derivative 2-amino-9-(4-isopropylbenzyl)-1,9-dihydropurin-6-one (GD) is synthesised and DFT calculations are performed using the Gaussion 03 software package. B3LYP functional with the basis set 6-31G (d, p) is used for the theoretical investigation of the molecule GD. The calculated IR frequencies, UV absorbance and NMR chemical shifts are found to be in accordance with experimental values. The molecular properties, such as dipole moment, and polarizabilities, are calculated at the same level of computation.
KEYWORDS: Guanine derivative, frequency, NMR, DFT