Structure Information
Structure

Compound Identification

SMILES

CC1CCC2=C(C1)SC1=C2C2=NC=NN2C2=NN=C(SCC3=C(Cl)C=CC=C3Cl)N12

InChIKey

InChIKey=ULCWPXBHLDULEE-UHFFFAOYSA-N

Formula

C20H16Cl2N6S2

Mass

475.41

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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 - 1,3-dichlorobenzene - Aryl thioether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Pyrimidine - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Thiophene - Azacycle - Sulfenyl compound - Thioether - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen 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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