Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC3=CC=C(F)C=C3)C(NNC=C3C=C(Br)C=CC3=O)=N2)C(=O)NC1=O

InChIKey

InChIKey=UQQCHRFOCWARRN-UHFFFAOYSA-N

Formula

C20H16BrFN6O3

Mass

487.289

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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 - Alkaloid or derivatives - O-quinomethane - Quinomethane - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Cyclic ketone - Ketone - Lactam - Vinyl bromide - Vinyl halide - Azacycle - Haloalkene - Bromoalkene - Organic oxide - Organohalogen compound - Organic oxygen compound - Hydrazine derivative - Organobromide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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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