Structure Information
Structure

Compound Identification

SMILES

CCCCN1C2=C(NC(CC3=CC=C(NS(=O)(=O)C4=CC=CC=C4F)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O

InChIKey

InChIKey=KLSCTCBMKDQXJO-UHFFFAOYSA-N

Formula

C29H27F2N5O4S

Mass

579.62

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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 - Benzenesulfonamide - Purinone - Sulfanilide - Benzenesulfonyl group - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Azole - Organosulfonic acid or derivatives - Imidazole - Urea - Lactam - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organohalogen compound - Organofluoride - 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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