Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC3=CC=CC=C3Cl)C(=N2)N2CCC[C@@H](N)C2)C(=O)N(CC2=NC(C)=CC3=CC=CC=C23)C1=O

InChIKey

InChIKey=XQRAKJMIYNYGNH-OAQYLSRUSA-N

Formula

C29H30ClN7O2

Mass

544.06

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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 - Isoquinoline - Purinone - Alkaloid or derivatives - Dialkylarylamine - 3-aminopiperidine - Chlorobenzene - Methylpyridine - Halobenzene - Pyrimidone - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyridine - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Lactam - Azacycle - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Primary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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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