Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N=C1C(C3=CC=C(Cl)C=C3)S(=O)(=O)C(C1=N2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=LFCAWRMKXCZRLH-UHFFFAOYSA-N
Formula
C20H13Cl2N5O3S
Mass
474.32
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 Sulfones Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyrimidone - Aryl halide - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Aryl chloride - Benzenoid - Heteroaromatic compound - Sulfone - Vinylogous amide - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - 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