Structure Information
Structure

Compound Identification

SMILES

CCCCCCCC(O)=O.C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1NCN=C1)C1=C(C=C(F)C=C1)C1=NC=NC=C1F

InChIKey

InChIKey=CGUXWNYQMIIHJS-XVHUJMMASA-N

Formula

C28H34F3N7O3

Mass

573.621

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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

Phenylpyrimidines

Alternative Parents

Molecular Framework

Not available

Substituents

4-phenylpyrimidine - Phenylpropane - Medium-chain fatty acid - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Straight chain fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary alcohol - Triazoline - Carboxylic acid amidrazone - Azacycle - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Formamidine - Hydrocarbon derivative - Organic oxygen compound - Imine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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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