Compound Identification
SMILES
CS(O)(=O)=O.CC1=C(CSCCNC2=NC=C(CC3=CC4=C(OCO4)C=C3)C(=O)N2)N=CN1
InChIKey
InChIKey=IBFFJUWPTMSRLC-UHFFFAOYSA-N
Formula
C20H25N5O6S2
Mass
495.57
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
Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Benzenoids Hydropyrimidines Heteroaromatic compounds Imidazoles Lactams Acetals Sulfenyl compounds Azacyclic compounds Dialkylthioethers Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Benzodioxole - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Hydropyrimidine - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Lactam - Sulfenyl compound - Thioether - Secondary amine - Azacycle - Dialkylthioether - Oxacycle - Acetal - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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