Compound Identification
SMILES
CCOC(=O)C1=NC2=C(NC1=O)NC(=NC2=O)N1CCCC1
InChIKey
InChIKey=PYWTZQYGZCQZQT-UHFFFAOYSA-N
Formula
C13H15N5O4
Mass
305.294
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
- Level 5 Pterin carboxylates
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Subclass
Pterins and derivatives
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Class
Pteridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pterin carboxylates
Alternative Parents
Pyrazine carboxylic acids Dialkylarylamines Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Pyrrolidines Heteroaromatic compounds Lactams Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin-6-carboxylate - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Pyrimidone - Pyrazine - Pyrimidine - Pyrrolidine - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pterin carboxylates. These are heterocyclic aromatic compounds containing a pterin moiety, in which one ring is substituted by one or more carboxylic acid groups. Pterin is a heterocyclic compound composed of a pteridine ring system (made up of a pyrazine fused to a pyrimidine), with a keto group and an amino group at the 2- and 4- positions, respectively.
External Descriptors
Not available