Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(=O)CF)C(Br)=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=YUYJRHGDHUOIQS-UHFFFAOYSA-N

Formula

C10H10BrFN4O3

Mass

333.117

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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 - Pyrimidone - N-substituted imidazole - Aryl bromide - Aryl halide - Pyrimidine - Alpha-haloketone - Imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Ketone - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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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