Compound Identification
SMILES
NC1=NC(=O)C2=NC(C=NC3=CC=C(Cl)C=C3)=CN=C2N1
InChIKey
InChIKey=WJOHKSLRCVLILZ-UHFFFAOYSA-N
Formula
C13H9ClN6O
Mass
300.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
- Subclass Pterins and derivatives
-
Class
Pteridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pterins and derivatives
Alternative Parents
Pyrimidones Chlorobenzenes Aminopyrimidines and derivatives Pyrazines Aryl chlorides Vinylogous amides Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Pyrimidine - Pyrazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Shiff base - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic oxygen compound - Organochloride - Organohalogen compound - Imine - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
External Descriptors
Not available