Compound Identification
SMILES
NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C([O-])=O)=N2)N1
InChIKey
InChIKey=WBFYVDCHGVNRBH-UHFFFAOYSA-M
Formula
C14H13N6O3
Mass
313.298
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
Aminobenzoic acids Benzoic acids Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Amino acids Ketimines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Ketimine - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Imine - Primary amine - Organonitrogen compound - Organooxygen compound - Organic anion - 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
CHEBI:17839 :
pteroates
META CYC (7-8-DIHYDROPTEROATE) :
a pteroate