Compound Identification
SMILES
CC1=NC2=NC=NN2C(SCC2=CC3=C(OCO3)C=C2Cl)=C1
InChIKey
InChIKey=INAZXJUAEVEISD-UHFFFAOYSA-N
Formula
C14H11ClN4O2S
Mass
334.78
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
Benzodioxoles Alkylarylthioethers Pyrimidines and pyrimidine derivatives Benzenoids Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Triazolopyrimidine - Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Acetal - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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