Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC2=C(N=C1C1=CC=C(OC)C=C1)C(=O)N=C(N)N2
InChIKey
InChIKey=GQAIAJRFERQLBJ-UHFFFAOYSA-N
Formula
C20H17N5O3
Mass
375.388
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
Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Aminopyrimidines and derivatives Alkyl aryl ethers Pyrazines Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyrazine - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Primary amine - 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