Structure Information
Structure

Compound Identification

SMILES

CCS(O)(=O)=O.CCC1=C(C(N)=NC(N)=N1)C1=CC(N=[N+]=[N-])=C(Cl)C=C1

InChIKey

InChIKey=BZCOWENGBZUNOI-UHFFFAOYSA-N

Formula

C14H18ClN7O3S

Mass

399.85

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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

Not available

Substituents

5-phenylpyrimidine - Phenylazide - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Azo imide - Azo compound - Azacycle - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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