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Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(O)C=C(C=C1)N=NSC1=NC=NC2=C1NC=N2

InChIKey

InChIKey=LCQHMCBCJRGMGZ-UHFFFAOYSA-N

Formula

C12H8N6O3S

Mass

316.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Salicylic acid - 6-thiopurine - Benzoic acid - Imidazopyrimidine - Purine - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Pyrimidine - Heteroaromatic compound - Imidazole - Vinylogous acid - Azole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

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