Compound Identification
SMILES
C(CNCC1=CC2=C(OCO2)C=C1)CN(CC1=NC=CS1)C1=NC(=NS1)N1C=CN=C1
InChIKey
InChIKey=UTZVEHRHUZVVKW-UHFFFAOYSA-N
Formula
C20H21N7O2S2
Mass
455.56
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 Aralkylamines N-substituted imidazoles Benzenoids Thiazoles Thiadiazoles Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Dialkylarylamine - Aralkylamine - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thiadiazole - Thiazole - Acetal - Secondary aliphatic amine - Secondary amine - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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