Compound Identification
SMILES
CC(C)[C@H](CO)NC1=NC2=NNN=C2C(NCC2=C(O)C(O)=C(Cl)C=C2)=N1
InChIKey
InChIKey=WRAWIWGURNJUQO-JTQLQIEISA-N
Formula
C16H20ClN7O3
Mass
393.83
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
3-chlorocatechols O-chlorophenols M-chlorophenols Benzylamines 1-hydroxy-4-unsubstituted benzenoids Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Triazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organochlorides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-chlorocatechol - Chlorocatechol - Triazolopyrimidine - Benzylamine - Catechol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - Chlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Aminopyrimidine - Phenol - Imidolactam - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Aryl chloride - Heteroaromatic compound - Triazole - 1,2,3-triazole - Azole - Azacycle - Primary alcohol - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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