Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C(C#N)C(=O)N=C(N1)SCC(=O)NC1=NC(=CS1)C1=CC=CC=C1

InChIKey

InChIKey=JPKLHRNQSFLZDZ-UHFFFAOYSA-N

Formula

C23H17N5O3S2

Mass

475.54

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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 heteromonocyclic compounds

Substituents

4-phenylpyrimidine - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Hydropyrimidine - Heteroaromatic compound - Thiazole - Vinylogous amide - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - 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

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