Structure Information
Structure

Compound Identification

SMILES

CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1

InChIKey

InChIKey=OEKWJQXRCDYSHL-FNOIDJSQSA-N

Formula

C23H28F2N6O4S

Mass

522.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Triazolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Triazolopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Triazolopyrimidine - Aryl thioether - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Cyclitol or derivatives - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Cyclopentanol - Pyrimidine - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Cyclic alcohol - Secondary alcohol - Secondary amine - Azacycle - Sulfenyl compound - Thioether - Dialkyl ether - Ether - Amine - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

CHEBI:68558 : organofluorine compound - aryl sulfide - secondary amino compound - triazolopyrimidines - hydroxyether

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