Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC3=C(F)C=CC=C3Cl)C(=N2)C2=CC(Cl)=CC(Cl)=C2)C(=O)N(C)C1=O

InChIKey

InChIKey=RZQJDDNJYBCTDI-UHFFFAOYSA-N

Formula

C20H14Cl3FN4O2

Mass

467.71

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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

2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organochloride - Organic nitrogen 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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