Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CC1=NC2=NC(=NN2C(SCC2=C(C3[C@H](SC2)[C@H](NC(=O)C(=N/O[C@@H](C([O-])=O)C2=CC(O)=C(O)C=C2)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1)C([O-])=O

InChIKey

InChIKey=UOPRJHVTJKXNGQ-IOQIQHHOSA-L

Formula

C29H22N8Na2O11S3

Mass

800.7

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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

Triazolopyrimidine - Aryl thioether - Catechol - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Thiopyran - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Thiazole - Carboxamide group - Carboxylic acid salt - Ketone - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Organic alkali metal salt - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Organic salt - Amine - Organic oxygen compound - Organic sodium salt - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary amine - 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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