Compound Identification
SMILES
CC(C)N1C=C(C(=O)C2=CC(NC(=O)NC3=CC=CS3)=CC=C2)C2=C1N=CN=C2N
InChIKey
InChIKey=DCBWPEYVVIHQAL-UHFFFAOYSA-N
Formula
C21H20N6O2S
Mass
420.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
N-phenylureas Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Vinylogous amides Thiophenes Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - N-phenylurea - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Thiophene - Pyrrole - Urea - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available