Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C2N=NN(CCSSCCN3N=NC4=C(N=CN4C3=O)C(N)=O)C(=O)N2C=N1

InChIKey

InChIKey=ISEHNFRXUFNZMR-UHFFFAOYSA-N

Formula

C14H14N12O4S2

Mass

478.47

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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 - Imidazole-4-carbonyl group - N-substituted imidazole - Tetrazine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Primary carboxylic acid amide - Organic disulfide - Dialkyldisulfide - Carboxamide group - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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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