Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC(O)=O.CC1=CC(N2NC(=NC2=N1)N1C(=O)CCC1=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=LWPOFSWBIHYPJM-UHFFFAOYSA-N

Formula

C20H20ClN5O6

Mass

461.86

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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

Not available

Substituents

Triazolopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acid - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Triazoline - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Guanidine - Carboxylic acid derivative - Carboximidamide - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Imine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - 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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