Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Purinones

Direct Parent

Hypoxanthines

Alternative Parents

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

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