Structure Information
Structure

Compound Identification

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC1=C(C=C(Br)C=C1)C#N)C(=O)N2C)N1CCCC(N)C1

InChIKey

InChIKey=WAMHAIZSNAEXKC-UHFFFAOYSA-N

Formula

C23H24BrN7O2

Mass

510.396

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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 - Dialkylarylamine - Benzonitrile - Pyrimidone - Halobenzene - 3-aminopiperidine - Bromobenzene - Benzenoid - Aminoimidazole - N-substituted imidazole - Piperidine - Pyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Nitrile - Carbonitrile - Cyanide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Primary aliphatic amine - Primary amine - 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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