Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(\C=N/NC2=NC3=C(N2CC2=CC=CC=C2Cl)C(=O)N(C)C(=O)N3C)C=C1

InChIKey

InChIKey=ZEBQEEQXFTZSGI-MSXFZWOLSA-N

Formula

C22H21ClN6O3

Mass

452.9

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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 - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Aryl halide - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Urea - Lactam - Azacycle - Ether - Hydrazone - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - 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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