Structure Information
Structure

Compound Identification

SMILES

C1=CC=NC=C1.[O-][N+](=O)C1=CC=C(C=C1)C(C1C(=O)NC(=S)NC1=O)C1C(=O)NC(=S)NC1=O

InChIKey

InChIKey=NZDZBDVXPDTGNX-UHFFFAOYSA-N

Formula

C20H16N6O6S2

Mass

500.5

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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

Not available

Substituents

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