Compound Identification
SMILES
NC(=N)C1=CC(CN2CCC(NS(=O)(=O)C3=CC4=C(C=C3)C(N)=NC=C4)C2=O)=CC=C1
InChIKey
InChIKey=OBRZWIHVRAXSSU-UHFFFAOYSA-N
Formula
C21H22N6O3S
Mass
438.51
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 Aminopyridines and derivatives Pyrrolidine-2-ones Organosulfonamides N-alkylpyrrolidines Imidolactams Benzene and substituted derivatives Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Lactams Carboximidamides Carboxamidines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isoquinoline - Aminopyridine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - N-alkylpyrrolidine - Benzenoid - Imidolactam - Pyridine - Monocyclic benzene moiety - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Amidine - Carboxylic acid amidine - Azacycle - Carboximidamide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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