Compound Identification
SMILES
CC1=C(C)C(NC2=NC=C(F)C(NC3=CC=CC(C)=C3C)=N2)=CC=C1
InChIKey
InChIKey=KTVNEFQGIGBZAL-UHFFFAOYSA-N
Formula
C20H21FN4
Mass
336.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
o-Xylenes
Alternative Parents
Aniline and substituted anilines Halopyrimidines Aminopyrimidines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-xylene - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Secondary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
External Descriptors
Not available