Structure Information
Structure

Compound Identification

SMILES

CC1(C)O[C@@H]2[C@@H](CF)O[C@H]([C@@H]2O1)N1C=NC2=C1N=C(F)N=C2OCC1=CC=CC=C1

InChIKey

InChIKey=SMKKOAOGDBJNKT-SCFUHWHPSA-N

Formula

C20H20F2N4O4

Mass

418.401

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Purinones

Direct Parent

Hypoxanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hypoxanthine - Halopyrimidine - Ketal - 2-halopyrimidine - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Monosaccharide - Aryl fluoride - Heteroaromatic compound - Azole - Oxolane - Imidazole - Meta-dioxolane - Acetal - Oxacycle - Azacycle - Ether - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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