Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=NC(N)=NC(C(=O)OC)=C1C(=O)C1=CC=CS1

InChIKey

InChIKey=QLFVFFDSUYSMHO-UHFFFAOYSA-N

Formula

C13H11N3O5S

Mass

321.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidinecarboxylic acids and derivatives

Direct Parent

Pyrimidinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine-6-carboxylic acid - Thiophene carboxylic acid or derivatives - Aryl ketone - Aminopyrimidine - Thiophene - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.

External Descriptors

Not available

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