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
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
2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines Fluorobenzenes Carbonylimidazoles Tetrazines N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
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