Structure Information
Structure

Compound Identification

SMILES

COC1=NC(NC2=CC3=C(NN=C3)C=C2)=NC(NCCC2=CNC3=CC=CC=C23)=N1

InChIKey

InChIKey=NSJQROISOSHTBB-UHFFFAOYSA-N

Formula

C21H20N8O

Mass

400.446

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indoles

Intermediate Tree Nodes

Not available

Direct Parent

3-alkylindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-alkylindole - Benzopyrazole - Indazole - 2,4-diamine-s-triazine - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Substituted pyrrole - Triazine - 1,3,5-triazine - Benzenoid - Pyrrole - Pyrazole - Heteroaromatic compound - Azole - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

External Descriptors

Not available

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