Compound Identification
SMILES
COC1=C2C(NC3=C(C#N)C(C)=C(S3)C(C)=O)N(C)CCC2=CC2=C1OCO2
InChIKey
InChIKey=PIANATAIPWPFEZ-UHFFFAOYSA-N
Formula
C20H21N3O4S
Mass
399.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Tetrahydroisoquinolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrahydroisoquinolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetrahydroisoquinolines
Alternative Parents
Benzodioxoles 3,4,5-trisubstituted-2-aminothiophenes Aryl alkyl ketones Anisoles Secondary alkylarylamines Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroisoquinoline - Benzodioxole - 3,4,5-trisubstituted-2-aminothiophene - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - 2-aminothiophene - Thiophene - Heteroaromatic compound - Ketone - Oxacycle - Nitrile - Carbonitrile - Acetal - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
External Descriptors
Not available