Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[C@H]1N2NC(=NC2=NC(C)=C1C(=O)NC1=CC=CC=C1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=BIFSAIJLBJPWKD-HSZRJFAPSA-N

Formula

C26H22ClN5O2

Mass

471.95

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