Compound Identification
SMILES
[Na+].NC1=NC2=C(N(CC([O-])=O)C=N2)C(OCC2=CC=CC=C2)=N1
InChIKey
InChIKey=QIDUSWVEBALHLY-UHFFFAOYSA-M
Formula
C14H12N5NaO3
Mass
321.272
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
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Level 5
Purinones
- Level 6 Hypoxanthines
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Level 5
Purinones
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Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
Alpha amino acids and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Amino acids Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Primary amines Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic sodium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Hypoxanthine - Alkyl aryl ether - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organic alkali metal salt - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available