Structure Information
Structure

Compound Identification

SMILES

OC[C@@H](O)[C@H]1OC(ON2C(=NC3=C2C(=O)NC(=O)N3)[N+]([O-])=O)[C@H](O)[C@H]1O

InChIKey

InChIKey=AYUNXVPZCRMKOA-HDYHFRTFSA-N

Formula

C11H13N5O10

Mass

375.25

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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 - Pentose monosaccharide - Purinone - Alkaloid or derivatives - Nitroaromatic compound - Pyrimidone - Monosaccharide - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Secondary alcohol - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic zwitterion - Primary alcohol - Organic salt - Organic nitrogen compound - 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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