Structure Information
Structure

Compound Identification

SMILES

COCCOC1=C(\C=C\C2=C(C(=O)N3C=CSC3=N2)C2=CC=C(OC(F)(F)F)C=C2)C=CC=C1OC

InChIKey

InChIKey=BVNPDMVUGABJKR-DHZHZOJOSA-N

Formula

C25H21F3N2O5S

Mass

518.51

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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

Aromatic heteropolycyclic compounds

Substituents

5-phenylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Trihalomethane - Lactam - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Halomethane - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - 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

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