Compound Identification
SMILES
CC1=CC(NC2=NC(NC3=C(C)C=C(C4CCC(=O)CC4)C(C)=C3)=NC=C2C(F)(F)F)=NN1
InChIKey
InChIKey=SVDSLKDIEBQWGU-UHFFFAOYSA-N
Formula
C23H25F3N6O
Mass
458.489
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
p-Xylenes
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Cyclic ketones Secondary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-xylene - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Ketone - Cyclic ketone - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
External Descriptors
Not available