Compound Identification
SMILES
CC(O)C1OC(CC1NC(C)=O)N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=YMQAPQNGLQSYBJ-UHFFFAOYSA-N
Formula
C13H18N6O4
Mass
322.325
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
-
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
6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Oxolanes Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Oxolane - Heteroaromatic compound - Vinylogous amide - Acetamide - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Primary amine - Alcohol - Hydrocarbon derivative - Organonitrogen 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