Structure Information
Structure

Compound Identification

SMILES

N[C@](CN1C=NC2=C1NC(=O)NC2=O)([C@H]1C[C@@H]1C(O)=O)C(O)=O

InChIKey

InChIKey=GTVQXKHWYDSDNM-JRHNIRLTSA-N

Formula

C12H13N5O6

Mass

323.265

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - Purinone - L-alpha-amino acid - D-alpha-amino acid - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Dicarboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Pyrimidine - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Amino acid - Amino acid or derivatives - Urea - Azacycle - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - 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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