Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.ClC1=CN=C2NC3=CC=CC(CSCCC4=CC(NC1=N2)=CC=C4)=C3

InChIKey

InChIKey=OHLUMVQDFDNDDW-UHFFFAOYSA-N

Formula

C21H18ClF3N4O2S

Mass

482.91

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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

Halopyrimidines

Alternative Parents

Molecular Framework

Not available

Substituents

Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Thioether - Dialkylthioether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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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