Structure Information
Structure

Compound Identification

SMILES

CCCN1C(=O)N(CC)C2=C(NC(=N2)C2=CN(CC#CC3=CC(OC(F)(F)F)=CC=C3)N=C2)C1=O

InChIKey

InChIKey=GIQNDKZFMBWVIF-UHFFFAOYSA-N

Formula

C23H21F3N6O3

Mass

486.455

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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 - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Trihalomethane - Lactam - Urea - Azacycle - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - 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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