Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1NC(=O)C1=C(C)N=C2N=C(NN2C1C1=CN=CC=C1)C1=CC=CC=C1Cl

InChIKey

InChIKey=XWZAFBPRSOTKIF-UHFFFAOYSA-N

Formula

C25H21ClN6O

Mass

456.93

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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 - N-arylamide - Toluene - Halobenzene - Chlorobenzene - Aryl halide - Imidolactam - Pyridine - Hydropyrimidine - Benzenoid - Aryl chloride - 1,6-dihydropyrimidine - Monocyclic benzene moiety - Triazoline - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Amidine - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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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