Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C(OCCO)=NC=N1)C1=CC=C(C)C=C1

InChIKey

InChIKey=PCPKFCYWVGKJLQ-UHFFFAOYSA-N

Formula

C22H25N3O4S

Mass

427.52

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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 - Cumene - Phenylpropane - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Imidolactam - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - 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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