Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=O)C1=C(C2CC2)N2C(N)=NN=C2N=C1C(=O)OC

InChIKey

InChIKey=UXJRMXSTAJXHAK-UHFFFAOYSA-N

Formula

C13H13N5O5

Mass

319.277

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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

Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Aryl ketone - Alpha-keto acid - Pyrimidine - Keto acid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Azole - 1,2,4-triazole - Triazole - Amino acid or derivatives - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary amine - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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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