Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC=C(C=C1)C1(CC1)C(=O)NCC1=CC=C(C=C1)C1=CN=C2NC3=CC(SNCCCNC1=N2)=CC=C3

InChIKey

InChIKey=YFGTTZGXVPGQQJ-UHFFFAOYSA-N

Formula

C31H29F3N6OS

Mass

590.67

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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 - Trifluoromethylbenzene - Phenylacetamide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Imidolactam - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organosulfenic acid amide - Carboxylic acid derivative - Azacycle - Alkyl halide - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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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