Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=C(N=CN2CCBr)C(SC2=CC=C(Cl)C=C2)=N1

InChIKey

InChIKey=PMHGIJDDIHADGA-UHFFFAOYSA-N

Formula

C13H11BrClN5S

Mass

384.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Diarylthioethers

Alternative Parents

6-thiopurines Thiophenol ethers Chlorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diarylthioether - 6-thiopurine - Imidazopyrimidine - Purine - Thiophenol ether - Aminopyrimidine - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Primary amine - Amine - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.

External Descriptors

Not available

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