Structure Information
Structure

Compound Identification

SMILES

CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC2=CC=CC=C2O)C1=O

InChIKey

InChIKey=AJJICUYUHCAFIO-UHFFFAOYSA-N

Formula

C25H27N5O4

Mass

461.522

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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

Xanthine - 6-oxopurine - Purinone - Acetanilide - Anilide - Alkaloid or derivatives - N-acetylarylamine - N-arylamide - Pyrimidone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Acetamide - Vinylogous amide - Azole - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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