Structure Information
Structure

Compound Identification

SMILES

COCCN(C(=O)C1=CN=C(C=C1)C(F)(F)F)C1=NC=C(C=C1)C1=NC2=C(N1)C(=O)N(CC=C)C(=O)N2CC=C

InChIKey

InChIKey=IBGRUPPGZAUMSJ-UHFFFAOYSA-N

Formula

C26H24F3N7O4

Mass

555.518

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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 - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Pyrimidone - Pyridine - Pyrimidine - Imidolactam - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - 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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