Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC2=C(F)C=CC(N)=C2)C1=O

InChIKey

InChIKey=CTLSVHAKCXKGFG-UHFFFAOYSA-N

Formula

C27H28F4N6O5

Mass

592.552

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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

Not available

Substituents

Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - N-arylamide - Aniline or substituted anilines - Pyrimidone - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl fluoride - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Acetamide - Imidazole - Vinylogous amide - Secondary carboxylic acid amide - Lactam - Urea - Amino acid or derivatives - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Alkyl fluoride - Amine - 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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