Structure Information
Structure

Compound Identification

SMILES

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Br)cc3Cl)nc12

InChIKey

InChIKey=BUNBFTUEHRHGMR-UHFFFAOYSA-N

Formula

C16H13BrClN5S

Mass

422.73

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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-aminopurines Thiophenol ethers Aminopyrimidines and derivatives Chlorobenzenes Bromobenzenes Aryl bromides N-substituted imidazoles Imidolactams Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Acetylides Azacyclic compounds Hydrocarbon derivatives Organobromides Organochlorides Organopnictogen compounds Primary amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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