Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C(SC2=NC3=C(N=CN=C3N)N2CCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=VTZBYMBQJHNQCS-UHFFFAOYSA-N

Formula

C21H21N5O2S

Mass

407.49

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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

Dimethoxybenzenes 6-aminopurines Thiophenol ethers Phenoxy compounds Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers N-substituted imidazoles Imidolactams Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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