Structure Information
Structure

Compound Identification

SMILES

CC1=C([C@H](N2NC=NC2=N1)C1=CC=C(OCC2=C(Cl)C=C(Cl)C=C2)C=C1)C(=O)NCC1=CC=CC=C1

InChIKey

InChIKey=JEOQKMKFLXQIRS-RUZDIDTESA-N

Formula

C27H23Cl2N5O2

Mass

520.41

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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

Pyrimidinecarboxamide - Triazolopyrimidine - Phenol ether - Phenoxy compound - 1,3-dichlorobenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - 1,6-dihydropyrimidine - Benzenoid - Aryl chloride - Hydropyrimidine - Monocyclic benzene moiety - Aryl halide - Triazoline - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Amidine - Formamidine - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Imine - Organohalogen 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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