Structure Information
Structure

Compound Identification

SMILES

COC1=CC(SC2=NC3=C(N=CN=C3N)N2CCCC#C)=CC=C1

InChIKey

InChIKey=VQKBRDXFGLLDPX-UHFFFAOYSA-N

Formula

C17H17N5OS

Mass

339.42

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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 Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Acetylides Sulfenyl compounds Hydrocarbon derivatives Organopnictogen compounds Primary amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diarylthioether - 6-aminopurine - Imidazopyrimidine - Purine - Anisole - Phenoxy compound - Phenol ether - Thiophenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Sulfenyl compound - Acetylide - Ether - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Primary amine - Organic oxygen 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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