Structure Information
Structure

Compound Identification

SMILES

COC(=O)CSC1=NN=C2N1C(=NC1=C2C2=C(COC(C)(C)C2)S1)N1N=C(C)C=C1C

InChIKey

InChIKey=SIJCKKFBAXSRGD-UHFFFAOYSA-N

Formula

C20H22N6O3S2

Mass

458.56

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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

Thienopyran - Thienopyrimidine - Triazolopyrimidine - Aryl thioether - Alkylarylthioether - Pyran - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Methyl ester - Thiophene - 1,2,4-triazole - Triazole - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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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