Compound Identification
SMILES
CCOP(=O)(CC1=CC=C(C=C1)N=CC1=CN=C2NC(NC(C)=O)=NC(=O)C2=N1)OCC
InChIKey
InChIKey=ANTWGVLQKNJHLT-UHFFFAOYSA-N
Formula
C20H23N6O5P
Mass
458.415
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
- Subclass Pterins and derivatives
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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
N-acetylarylamines Dialkyl alkylphosphonates Pyrimidones Benzene and substituted derivatives Phosphonic acid esters Pyrazines Heteroaromatic compounds Vinylogous amides Acetamides Shiff bases Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - N-acetylarylamine - N-arylamide - Dialkyl alkylphosphonate - Phosphonic acid diester - Pyrimidone - Monocyclic benzene moiety - Phosphonic acid ester - Pyrazine - Pyrimidine - Benzenoid - Organophosphonic acid derivative - Heteroaromatic compound - Acetamide - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Shiff base - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Aldimine - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Imine - Carbonyl group - Organic nitrogen 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