Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CN=C(NC2=NC(=CS2)C(N)COCC2=CC=CC=C2)N=C1C(F)(F)F

InChIKey

InChIKey=ITEBBWDRRDPIDO-UHFFFAOYSA-N

Formula

C19H18F3N5O3S

Mass

453.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidinecarboxylic acids and derivatives

Direct Parent

Pyrimidinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzylether - Pyrimidine-5-carboxylic acid - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Methyl ester - Thiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl fluoride - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Amine - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.

External Descriptors

Not available

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