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Structure Information
Structure

Compound Identification

SMILES

[2H]C1=C([2H])C(=C([2H])C(F)=C1F)C1([2H])C[C@@H]1NC1=NC(SCCC)=NC2=C1N=NN2[C@]1([2H])C([2H])([2H])[C@]([2H])(OC([2H])([2H])CO)[C@@]([2H])(O)[C@@]1([2H])O

InChIKey

InChIKey=OEKWJQXRCDYSHL-BMTUJWCCSA-N

Formula

C23H28F2N6O4S

Mass

534.65

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

Not available

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