Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+]([O-])=O)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=KDONYPJVXUHPLK-UHFFFAOYSA-N

Formula

C16H13F3N6O5

Mass

426.312

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