Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N(CCN1N=NC2=C(N=CN2C1=O)C(N)=O)CCN1N=NC2=C(N=CN2C1=O)C(N)=O

InChIKey

InChIKey=WVBQIOMSBAUBRB-UHFFFAOYSA-N

Formula

C21H21N13O5

Mass

535.485

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazotetrazines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Imidazotetrazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Imidazotetrazine - Methoxyaniline - Aminophenyl ether - Phenol ether - 2-heteroaryl carboxamide - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Imidazole-4-carbonyl group - N-substituted imidazole - Tetrazine - Monocyclic benzene moiety - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as imidazotetrazines. These are organic polycyclic compounds containing an imidazole ring fused to a tetrazine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Tetrazine is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.

External Descriptors

Not available

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