Structure Information
Structure

Compound Identification

SMILES

CCCN1C2=C(NC(=N2)C2=CC=C(OCC3=NOC(=N3)C3=CC=C(F)C=C3)C=C2)C(=O)N(CCC)C1=O

InChIKey

InChIKey=LHMYROXNDKDUQN-UHFFFAOYSA-N

Formula

C26H25FN6O4

Mass

504.522

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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

2-phenylimidazole - Phenyl-1,2,4-oxadiazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organohalogen 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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