Structure Information
Structure

Compound Identification

SMILES

CN(CC1=CC=CC=C1)C1=NC2=C(N1CC1=CC=C(Cl)C=C1)C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=IRPCFZNHNAZXEL-UHFFFAOYSA-N

Formula

C22H22ClN5O2

Mass

423.9

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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 - Benzylamine - Dialkylarylamine - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Aminoimidazole - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Urea - Lactam - Azacycle - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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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