Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=NC(Cl)=NC=C1C(=O)N1CCCN1C(=S)NCCC1=CCCCC1

InChIKey

InChIKey=BARRMVCQFSDNLB-UHFFFAOYSA-N

Formula

C18H21ClF3N5OS

Mass

447.91

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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

Pyrimidinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine-5-carboxylic acid or derivatives - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrazolidine - Heteroaromatic compound - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).

External Descriptors

Not available

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