Structure Information
Structure

Compound Identification

SMILES

CC(C)CN1C=NC2=C1C(=O)N(CC(=O)NC1=C(C=C(F)C=C1)[N+]([O-])=O)C(=O)N2CC1=CC=CC=C1

InChIKey

InChIKey=AYIBVRYUUCDKAH-UHFFFAOYSA-N

Formula

C24H23FN6O5

Mass

494.483

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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 - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Pyrimidone - Fluorobenzene - Halobenzene - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl fluoride - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Lactam - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organic zwitterion - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - 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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