Compound Identification
SMILES
CCC1=CC=C(NC2=NC3=C(N=NN3C3=C2SC=C3)S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=QZXLCKAXYRPYRQ-UHFFFAOYSA-N
Formula
C21H16ClN5O2S2
Mass
469.96
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
Thienopyrimidines Benzenesulfonyl compounds Aniline and substituted anilines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Thiophenes Heteroaromatic compounds Sulfones Triazoles Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Triazolopyrimidine - Benzenesulfonyl group - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Imidolactam - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Azole - 1,2,3-triazole - Triazole - Sulfone - Sulfonyl - Thiophene - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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