Structure Information
Structure

Compound Identification

SMILES

CCC1C(=O)N2N=CSC2=[N+](CC)C1=O

InChIKey

InChIKey=KSQLNFRGSBRFHO-UHFFFAOYSA-N

Formula

C9H12N3O2S

Mass

226.27

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidones

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 1,3-dicarbonyl compound - Thiadiazoline - N-acylimine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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