Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.CC(C)CN1C2=C([NH2+]C(CC3=CC=C(Br)C=C3)=N2)C(=O)N(CC2=C3OCOC3=CC=C2)C1=O

InChIKey

InChIKey=KOATWNOFCDKMEB-UHFFFAOYSA-N

Formula

C26H24BrF3N4O6

Mass

625.399

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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

Not available

Substituents

Xanthine - Purinone - Benzodioxole - Alkaloid or derivatives - Pyrimidone - Bromobenzene - Halobenzene - Pyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Carboxylic acid salt - Acetal - Amidine - Oxacycle - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Organopnictogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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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