Compound Identification
SMILES
BrC1=CC2=C(OCO2)C=C1C=NNC1=NC(=NC(=N1)N1CCCCC1)N1CCCCC1
InChIKey
InChIKey=CKBFIQQFRWYFOH-UHFFFAOYSA-N
Formula
C21H26BrN7O2
Mass
488.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Dialkylarylamines 1,3,5-triazine-2,4-diamines Piperidines Benzenoids Aryl bromides 1,3,5-triazines Heteroaromatic compounds Oxacyclic compounds Hydrazones Azacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 2,4-diamine-s-triazine - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Aryl bromide - Aryl halide - Piperidine - Triazine - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Hydrazone - Acetal - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available