Compound Identification
SMILES
NC1=C(CN2CCC(NS(=O)(=O)C3=CC4=C(S3)C=CC=N4)C2=O)C=C2C(N)=NC=CC2=C1
InChIKey
InChIKey=UORSJJNIHCUTDL-UHFFFAOYSA-N
Formula
C21H20N6O3S2
Mass
468.55
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
Alpha amino acids and derivatives Thienopyridines 2,3,5-trisubstituted thiophenes Aminopyridines and derivatives Pyrrolidine-2-ones Benzenoids Imidolactams N-alkylpyrrolidines Organosulfonamides Heteroaromatic compounds Tertiary carboxylic acid amides Aminosulfonyl compounds Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isoquinoline - Thienopyridine - 2,3,5-trisubstituted thiophene - Aminopyridine - Pyridine - Pyrrolidone - 2-pyrrolidone - Imidolactam - Benzenoid - N-alkylpyrrolidine - Organosulfonic acid amide - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary carboxylic acid amide - Thiophene - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - 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