Compound Identification
SMILES
NC1=NC(COC2=CC3=C(OCO3)C=C2)=NC(=N1)N1CCCCC1
InChIKey
InChIKey=OBBVGBBMHQFSIM-UHFFFAOYSA-N
Formula
C16H19N5O3
Mass
329.36
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 Alkyl aryl ethers Primary aromatic amines Piperidines Benzenoids 1,3,5-triazines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 2,4-diamine-s-triazine - Dialkylarylamine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Piperidine - Primary aromatic amine - Triazine - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Acetal - Ether - Azacycle - Oxacycle - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen 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