Structure Information
Structure

Compound Identification

SMILES

CN1\C(NC2=C1C(=O)NC(=O)N2CC1=CC=CC=C1)=C1/C=C(Cl)C=CC1=O

InChIKey

InChIKey=QNYKBWZHDRGFMB-DTQAZKPQSA-N

Formula

C19H15ClN4O3

Mass

382.8

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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 - Purinone - Alkaloid or derivatives - O-quinomethane - Quinomethane - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketene acetal or derivatives - Ketone - Lactam - Cyclic ketone - Urea - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen 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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