Compound Identification
SMILES
CCCCNC(=O)C(CC)SC1=NN2C(=N1)N=C(C)C(CC1=CC(Cl)=CC=C1)=C2C
InChIKey
InChIKey=GAQAUGGVIYOECO-UHFFFAOYSA-N
Formula
C22H28ClN5OS
Mass
446.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Chlorobenzenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives N-acyl amines Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Fatty acyl - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty amide - Pyrimidine - Aryl chloride - N-acyl-amine - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available