Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C2N=NN(CCN(CCN3N=NC4=C(N=CN4C3=O)C(N)=O)C3=CC=C(F)C=C3)C(=O)N2C=N1

InChIKey

InChIKey=QLVWOUOZWCIPKQ-UHFFFAOYSA-N

Formula

C20H18FN13O4

Mass

523.449

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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 - 2-heteroaryl carboxamide - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Imidazole-4-carbonyl group - Aryl halide - Benzenoid - Tetrazine - Aryl fluoride - N-substituted imidazole - Monocyclic benzene moiety - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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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