Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCO2)C=C1C=NNC1=NC2=C(N1)C(=O)N=CN2
InChIKey
InChIKey=CCKFRIHBVFELRP-UHFFFAOYSA-N
Formula
C13H9N7O5
Mass
343.259
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
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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 Benzodioxoles Nitroaromatic compounds Pyrimidones Benzenoids Vinylogous amides Imidazoles Heteroaromatic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Acetals Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Benzodioxole - Nitroaromatic compound - Pyrimidone - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Hydrazone - Acetal - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - 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