Compound Identification
SMILES
CC1=CC=CC(=C1)C1=NC=C(N)C(=O)N1CC(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC=CS1
InChIKey
InChIKey=WNJLVFWJWNGWKN-INIZCTEOSA-N
Formula
C22H26N8O3S
Mass
482.56
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Toluenes Aminopyrimidines and derivatives Pyrimidones Hydropyrimidines Thiazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Guanidines Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Aminopyrimidine - Toluene - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Guanidine - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
CHEBI:40238 : aminopyrimidine - guanidines - pyrimidone - 1,3-thiazole