Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC=CC(=C1)C1=CCN2C3=C(C=NN13)C(=O)N(C1=CC=C(Cl)C=C1)C2=O

InChIKey

InChIKey=VCPJALYRBSFORZ-UHFFFAOYSA-N

Formula

C21H12ClF3N4O2

Mass

444.8

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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 - Trifluoromethylbenzene - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Alkaloid or derivatives - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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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