Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CN1CCN=C1C1=CC(OC2=NC(=CC(OC3=CC(C=CC3=O)=C(N)N)=N2)C2=CC=CC=C2)=CC=C1

InChIKey

InChIKey=LDDJHZLGWAHGGC-UHFFFAOYSA-N

Formula

C29H25F3N6O5

Mass

594.551

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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 - Diaryl ether - Phenoxy compound - P-quinomethane - Quinomethane - Phenol ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - 2-imidazoline - Ketene acetal or derivatives - Ketone - Cyclic ketone - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Amine - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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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