Compound Identification
SMILES
C[C@H](NC1=C2N=CSC2=NC=N1)C1=NC(CCN2CCOCC2)=C2C(Cl)=CC=CC2=C1
InChIKey
InChIKey=SPZXOLDAMPVXET-AWEZNQCLSA-N
Formula
C22H23ClN6OS
Mass
454.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
1,3-thiazolo[5,4-d]pyrimidines Secondary alkylarylamines Aminopyrimidines and derivatives Aralkylamines Pyridines and derivatives Morpholines Imidolactams Aryl chlorides Benzenoids Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - 1,3-thiazolo[5,4-d]pyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Morpholine - Pyrimidine - Pyridine - Oxazinane - Heteroaromatic compound - Thiazole - Azole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Secondary amine - Dialkyl ether - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available