Structure Information
Structure

Compound Identification

SMILES

[NH4+].[NH4+].CN1C=NC2=C1C(=O)N(CCCOP([O-])([O-])=O)C(=O)N2C

InChIKey

InChIKey=QGNAYIOBRZYSEK-UHFFFAOYSA-N

Formula

C10H21N6O6P

Mass

352.288

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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 - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidazole - Quaternary ammonium salt - Heteroaromatic compound - Azole - Vinylogous amide - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - 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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