Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N1C2=NN=C(SCC(O)=O)N2C2=C(C3=C(CC(C)CC3)S2)C1=O

InChIKey

InChIKey=XWEJXVCILCUKQV-UHFFFAOYSA-N

Formula

C21H20N4O4S2

Mass

456.54

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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

Thienopyrimidine - Triazolopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - 1,2,4-triazole - Triazole - Vinylogous amide - Thiophene - Heteroaromatic compound - Lactam - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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