Compound Identification
SMILES
COC1=C(OC)C=C2N(CC#N)C(=NC2=C1)C1=NON=C1N
InChIKey
InChIKey=APQRXVQYPVRESV-UHFFFAOYSA-N
Formula
C13H12N6O3
Mass
300.278
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Anisoles Alkyl aryl ethers N-substituted imidazoles Imidolactams Heteroaromatic compounds Furazans Oxacyclic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Anisole - Phenol ether - Alkyl aryl ether - Imidolactam - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Furazan - Imidazole - Oxadiazole - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Cyanide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available