Compound Identification
SMILES
CC1=NC2=NC(CC3=CC(Cl)=CC=C3)=NN2C(NCC(F)(F)C2=CC=CC=[N+]2[O-])=C1
InChIKey
InChIKey=QQGIOSXBTIOQMB-UHFFFAOYSA-N
Formula
C20H17ClF2N6O
Mass
430.84
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 Aminopyrimidines and derivatives Pyridinium derivatives Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Pyrimidine - Benzenoid - Triazole - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Alkyl fluoride - Organic salt - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic cation - 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