Structure Information
Structure

Compound Identification

SMILES

CN1C=NC2=C1C(=O)N(CC#CC1=CC3=C(C=C1)N1C(C)=NN=C1CN=C3C1=CC=CC=C1F)C(=O)N2C

InChIKey

InChIKey=XFNCVDQJQYHAFI-UHFFFAOYSA-N

Formula

C27H21FN8O2

Mass

508.517

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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

Benzodiazepine - 1,4-benzodiazepine - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - 1,2,4-triazole - Lactam - Ketimine - Urea - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organohalogen compound - Imine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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

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