Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC3=CC(=C(O)C=C3)[N+]([O-])=O)C=N2)C(=O)NC1=O

InChIKey

InChIKey=TXDORFLIALFVTL-UHFFFAOYSA-N

Formula

C13H11N5O5

Mass

317.261

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthine - 6-oxopurine - Nitrophenol - Purinone - Nitrobenzene - Alkaloid or derivatives - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - N-substituted imidazole - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - C-nitro compound - Lactam - Organic nitro compound - Urea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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