Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=CC=C1NC1=NC(=NC2=C1N=NN2CC1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=ULFDUURZZMBZPG-UHFFFAOYSA-N

Formula

C20H17F3N6

Mass

398.393

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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 - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Secondary amine - Azacycle - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Amine - Organic nitrogen 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

Not available

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