Compound Identification
SMILES
ClC1=C(NC2=C3SC(NC4=CC=C(CN5CCOCC5)C=C4)=NC3=NC=C2C#N)C2=C(OCO2)C=C1
InChIKey
InChIKey=URXUJTOGTQPSSC-UHFFFAOYSA-N
Formula
C25H21ClN6O3S
Mass
520.99
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
Phenylmethylamines Aniline and substituted anilines Benzylamines Aminopyridines and derivatives Aralkylamines 2-amino-1,3-thiazoles Aryl chlorides Morpholines Heteroaromatic compounds Trialkylamines Dialkyl ethers Nitriles Azacyclic compounds Oxacyclic compounds Secondary amines Acetals Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aminopyridine - Aralkylamine - Aryl chloride - Morpholine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Pyridine - Aryl halide - Oxazinane - Heteroaromatic compound - Thiazole - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Acetal - Dialkyl ether - Nitrile - Carbonitrile - Oxacycle - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Cyanide - 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