Structure Information
Structure

Compound Identification

SMILES

CC(NC1=C(C=CC(=C1)C(F)(F)F)C1=CC(OC2=C3N=C(NC(C)=O)SC3=CC=C2)=NC=N1)C1=CC=CC=N1

InChIKey

InChIKey=QXLMKVMKRUKAFT-UHFFFAOYSA-N

Formula

C27H21F3N6O2S

Mass

550.56

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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

4-phenylpyrimidine - Diaryl ether - Trifluoromethylbenzene - 1,3-benzothiazole - N-acetylarylamine - Phenol ether - N-arylamide - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Thiazole - Heteroaromatic compound - Acetamide - Azole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Ether - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - 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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