Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C\C(=C\NNC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=CC=C3)=N2)C1=O

InChIKey

InChIKey=BHFHGWMGJAPRMA-NXVVXOECSA-N

Formula

C23H21N7O2

Mass

427.468

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2,4-diamine-s-triazine - O-quinomethane - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Secondary amine - Organoheterocyclic compound - Amine - Hydrazine derivative - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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