Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N=C(C(O)=O)C(=S)N2
InChIKey
InChIKey=IMFASXWPVCANIK-UHFFFAOYSA-N
Formula
C7H5N5O3S
Mass
239.21
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 Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Thiolactams Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organosulfur compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin-7-carboxylate - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Aminopyrimidine - Pyrimidone - Pyrimidine - Pyrazine - Heteroaromatic compound - Vinylogous amide - Thiolactam - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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