Title : Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)-pyrimidine-5-carbonitrile, a potential chemotherapeutic agent.

Pub. Date : 2015 Mar 15

PMID : 25576938






1 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 From the MEP, it is evident that the negative charge covers the C N group and the positive region is over the phenyl and the pyrimidine rings. pyrimidine neurolysin Homo sapiens