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
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 Carbonylimidazoles Tetrazines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Dialkyldisulfides Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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