Compound Identification
SMILES
ClC1=CC=C(C=C1)N1C2=NCC(CI)N2C2=NC=CN=C2C1=O
InChIKey
InChIKey=ATOGOGZGTMGIQK-UHFFFAOYSA-N
Formula
C15H11ClIN5O
Mass
439.64
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
Chlorobenzenes Aryl chlorides Imidolactams Pyrazines Imidazolines Heteroaromatic compounds Vinylogous amides Guanidines Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Organoiodides Organochlorides Organic oxides Alkyl iodides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazine - Benzenoid - Imidolactam - 2-imidazoline - Heteroaromatic compound - Vinylogous amide - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Alkyl iodide - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organoiodide - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - 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