Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@]1(CC(=NO1)C1=CC=CC(=C1)C#N)C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C

InChIKey

InChIKey=IAEOZPVPHRUICL-MUUNZHRXSA-N

Formula

C28H28N6O6S

Mass

576.63

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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

5-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Benzonitrile - N-arylamide - Fatty acid ester - Monocyclic benzene moiety - Fatty amide - Organosulfonic acid amide - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isoxazoline - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Cyanide - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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

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