Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(\C=C2\C(=N)N3N=C(SC3=NC2=O)C(F)(F)F)=C1

InChIKey

InChIKey=IKGLRHOXUNCUGM-BMWAZNHVSA-N

Formula

C14H9F3N4OS

Mass

338.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Benzenoid - Thiadiazoline - N-acylimine - Amidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Aromatic 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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