Structure Information
Structure

Compound Identification

SMILES

CN(C(=O)OC1=NC(NC2=CC(F)=C(OCCCN3CCCCC3)C=C2)=NC(=C1)C1=C(C)C(C)=C(C)C=C1)C1=C(Cl)C=CC(=C1)C(F)(F)F

InChIKey

InChIKey=FPPONAMVODKKOH-UHFFFAOYSA-N

Formula

C36H38ClF4N5O3

Mass

700.18

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 heteromonocyclic compounds

Substituents

4-phenylpyrimidine - Phenylcarbamic acid ester - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Carbamic acid ester - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organochloride - Organic oxygen compound - Organofluoride - Organonitrogen compound - 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

Previous Back Next