Structure Information
Structure

Compound Identification

SMILES

COCCCN1C(=NC2=C1C(=O)NC(=O)N2CC1=CC=CC=C1)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=WSBVCGSDJASULK-UHFFFAOYSA-N

Formula

C22H21ClN4O3

Mass

424.89

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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

2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Halobenzene - Chlorobenzene - Pyrimidone - Benzenoid - Pyrimidine - N-substituted imidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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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