Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CCCCN1C2=C(NC(CC3=CC=C(NS(=O)(=O)C4=CN(C)C=N4)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O

InChIKey

InChIKey=DUHDAVNHODCMFO-UHFFFAOYSA-N

Formula

C29H29F4N7O6S

Mass

679.65

Export to:

JSON SDF CSV

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 - Purinone - Sulfanilide - Alkaloid or derivatives - Halobenzene - Fluorobenzene - Pyrimidone - N-substituted imidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Organosulfonic acid amide - Alpha-halocarboxylic acid - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Azole - Vinylogous amide - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Urea - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - 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

Previous Back Next