Structure Information
Structure

Compound Identification

SMILES

CC(O)CCCCN1C(=O)N(C)C2=C(NC(NCC3=CC(Cl)=C(Cl)C=C3)=N2)C1=O

InChIKey

InChIKey=NLRJIQWTIPQMCE-UHFFFAOYSA-N

Formula

C19H23Cl2N5O3

Mass

440.33

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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 - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Urea - Secondary alcohol - Lactam - Azacycle - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - 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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