Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC=CC=C1CC1=C(N)N=C(SCCN2CCNCC2)N=C1N

InChIKey

InChIKey=WLIOAYNXFFEGEX-WLHGVMLRSA-N

Formula

C22H30N6O5S

Mass

490.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers N-alkylpiperazines Aminopyrimidines and derivatives Unsaturated fatty acids Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Sulfenyl compounds Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines

Molecular Framework

Not available

Substituents

Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - Alkylarylthioether - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Pyrimidine - Unsaturated fatty acid - Imidolactam - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thioether - Secondary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Ether - Secondary aliphatic amine - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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