Compound Identification
SMILES
CC1=C(Cl)C(=O)N2NC(NCC3=CC=C(Br)C=C3)=NC2=N1
InChIKey
InChIKey=GJDIKFIYNVJKRX-UHFFFAOYSA-N
Formula
C13H11BrClN5O
Mass
368.62
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
Benzylamines Pyrimidones Bromobenzenes Halopyrimidines Aryl bromides Aryl chlorides Triazoles Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organooxygen compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Benzylamine - Bromobenzene - Halobenzene - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Lactam - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Organobromide - 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