Compound Identification
SMILES
COC1=C\C(C=CC1=O)=C1\C=C(NC2=C1C(N)=NC=N2)C1=CC(C)=CC(Cl)=C1O
InChIKey
InChIKey=ABHRBZSREUGTJX-QXMHVHEDSA-N
Formula
C21H17ClN4O3
Mass
408.84
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
Para cresols P-quinomethanes Halotoluenes O-chlorophenols Aminopyrimidines and derivatives Chlorobenzenes Pyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Enamines Azacyclic compounds Organochlorides Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - 2-halophenol - 2-chlorophenol - Halotoluene - P-quinomethane - P-cresol - Quinomethane - Aminopyrimidine - Chlorobenzene - Halobenzene - Phenol - Toluene - Pyrimidine - Pyridine - Imidolactam - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Cyclic ketone - Ketone - Azacycle - Enamine - Primary amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Amine - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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