Compound Identification
SMILES
OC(C=O)=CNC1=NC(=O)C2=C(N1)N=CN2
InChIKey
InChIKey=BQELTNHOTGNIPS-UHFFFAOYSA-N
Formula
C8H7N5O3
Mass
221.176
Taxonomic Classification
Taxonomy Tree
-
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 Vinylogous amides Imidazoles Heteroaromatic compounds Enals Alpha-hydroxyaldehydes Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - Pyrimidine - Alpha,beta-unsaturated aldehyde - Azole - Heteroaromatic compound - Enal - Vinylogous amide - Alpha-hydroxyaldehyde - Imidazole - Azacycle - Enamine - Aldehyde - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - 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