Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(O)=O)=CN=C2N1

InChIKey

InChIKey=JOAQINSXLLMRCV-UHFFFAOYSA-N

Formula

C14H12N6O3

Mass

312.289

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Taxonomic Classification

Taxonomy Tree

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

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 - Pyrimidone - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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

CHEBI:27623 : pteroic acid

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