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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Imidazotetrazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazotetrazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazotetrazines
Alternative Parents
Methoxyanilines Aminophenyl ethers Phenoxy compounds 2-heteroaryl carboxamides Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Carbonylimidazoles Tetrazines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
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