Structure Information
Structure

Compound Identification

SMILES

CSC1=CC(=C(Cl)C=C1)C1=C(C)N=C(N)N=C1N

InChIKey

InChIKey=MZMZSZKZGOIQPS-UHFFFAOYSA-N

Formula

C12H13ClN4S

Mass

280.77

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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 - Aryl thioether - Thiophenol ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Imidolactam - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - 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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