Compound Identification
SMILES
CC1=C(CNC2=NC=NC3=C2CN(CC3)C2=C(C=C(Cl)C=C2)C#N)C=CC(=N1)C(F)(F)F
InChIKey
InChIKey=AZBUVFQGOUWUQA-UHFFFAOYSA-N
Formula
C22H18ClF3N6
Mass
458.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
Aniline and substituted anilines Benzonitriles Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes Methylpyridines Aryl chlorides Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Methylpyridine - Aralkylamine - Benzenoid - Pyrimidine - Imidolactam - Pyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Amine - Alkyl halide - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Cyanide - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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