Compound Identification
SMILES
CC1=CC(NC(=O)CN2C=NC3=C(N=NN3CC3=CC=C(F)C=C3)C2=O)=CC(C)=C1
InChIKey
InChIKey=NMKCTDZDECAGCV-UHFFFAOYSA-N
Formula
C21H19FN6O2
Mass
406.421
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
Anilides m-Xylenes N-arylamides Fluorobenzenes Pyrimidones Aryl fluorides Triazoles Heteroaromatic compounds Vinylogous amides Lactams Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Anilide - N-arylamide - M-xylene - Xylene - Fluorobenzene - Halobenzene - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - 1,2,3-triazole - Triazole - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organofluoride - 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