Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=CC=C(CC2=NC3=C(N2)C(=O)N(CC2=CC=CC=C2F)C(=O)N3C[C@@H]2C[C@@H]2C(O)=O)C=C1

InChIKey

InChIKey=SDHKGNDOYBQCIY-HKUYNNGSSA-N

Formula

C26H24FN5O5

Mass

505.506

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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 - Acetanilide - Purinone - N-acetylarylamine - Anilide - Alkaloid or derivatives - N-arylamide - Fluorobenzene - Halobenzene - Pyrimidone - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Monocyclic benzene moiety - Pyrimidine - Aryl fluoride - Benzenoid - Imidazole - Heteroaromatic compound - Acetamide - Azole - Vinylogous amide - Lactam - Secondary carboxylic acid amide - Urea - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen 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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