Structure Information
Structure

Compound Identification

SMILES

OCCSC1=C(C=C(C=C2C(=O)NC(=O)N(C2=O)C2=CC=CC=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=KWBSXIBQYVAJRV-UHFFFAOYSA-N

Formula

C19H15N3O6S

Mass

413.4

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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

Barbituric acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Barbiturate - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - N-acyl urea - Ureide - Alkylarylthioether - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - C-nitro compound - Carbonic acid derivative - Urea - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Organic zwitterion - Carbonyl group - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.

External Descriptors

Not available

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