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CAS 7000-61-5

:

4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]amino}benzoic acid

Description:
4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]amino}benzoic acid, with the CAS number 7000-61-5, is a chemical compound that features a complex structure characterized by a purine derivative linked to a benzoic acid moiety. This compound typically exhibits properties associated with both purines and aromatic carboxylic acids, including potential solubility in polar solvents and the ability to participate in hydrogen bonding due to the presence of both amino and carboxylic acid functional groups. Its structure suggests that it may have biological activity, possibly acting as a pharmaceutical agent or a biochemical probe, given the presence of the purine base, which is a key component in nucleic acids. The compound may also exhibit specific reactivity patterns typical of amines and carboxylic acids, such as forming salts or undergoing acylation reactions. Overall, its unique structural features contribute to its potential applications in medicinal chemistry and biochemistry.
Formula:C15H15N5O4
InChI:InChI=1/C15H15N5O4/c1-19-12-11(13(21)20(2)15(19)24)17-10(18-12)7-16-9-5-3-8(4-6-9)14(22)23/h3-6,16H,7H2,1-2H3,(H,17,18)(H,22,23)
SMILES:Cn1c2c(c(=O)n(C)c1=O)nc(CNc1ccc(cc1)C(=O)O)[nH]2
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