Structure Information
Structure

Compound Identification

SMILES

CCCN1C(=O)N(CC2=CC(I)=C(N)C=C2)C2=C(NC(=N2)C2=CC=C(OCC(O)=O)C=C2)C1=O

InChIKey

InChIKey=DKJMGIXWGPEEFF-UHFFFAOYSA-N

Formula

C23H22IN5O5

Mass

575.363

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxyacetate - 2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Iodobenzene - Halobenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Pyrimidine - Benzenoid - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Amino acid - Lactam - Urea - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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