Structure Information
Structure

Compound Identification

SMILES

OC[C@H](O)COC1=C(C=CC(=C1)C(F)(F)F)C1=CC(OC2=CC3=C(C=CC=N3)C=C2)=NC=N1

InChIKey

InChIKey=PHROQGLXENZCNH-INIZCTEOSA-N

Formula

C23H18F3N3O4

Mass

457.409

Export to:

JSON SDF CSV

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

Aromatic heteropolycyclic compounds

Substituents

4-phenylpyrimidine - Diaryl ether - Trifluoromethylbenzene - Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Primary alcohol - Alcohol - Aromatic heteropolycyclic 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

Previous Back Next