Structure Information
Structure

Compound Identification

SMILES

CC[NH+](CC)CCNC1=NC2=C(N1C[C@H](C)O)C(=O)N=C([O-])N2C

InChIKey

InChIKey=PVDUFKNNSRVSFN-JTQLQIEISA-N

Formula

C15H26N6O3

Mass

338.412

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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 - Pyrimidone - Secondary aliphatic/aromatic amine - Aminoimidazole - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Tertiary aliphatic amine - Secondary alcohol - Azacycle - Secondary amine - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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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