Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=CC=C2C(=O)NC(=S)NC2=O)C=C1

InChIKey

InChIKey=ASHTWBZQBQOVFH-UHFFFAOYSA-N

Formula

C13H9N3O4S

Mass

303.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidones

Direct Parent

Thiobarbituric acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Thiobarbiturate - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - C-nitro compound - Thiourea - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.

External Descriptors

Not available

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