Structure Information
Structure

Compound Identification

SMILES

[2H]C1=NC2=C(N1C([2H])([2H])[2H])C(=O)N(CCCCC(C)O)C(=O)N2C([2H])([2H])[2H]

InChIKey

InChIKey=NSMXQKNUPPXBRG-SQJMPVAGSA-N

Formula

C13H20N4O3

Mass

287.371

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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 - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Lactam - Urea - Secondary alcohol - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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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