Structure Information
Structure

Compound Identification

SMILES

CC(Cc1ccc(O)c(O)c1)NCC(O)Cn1cnc2[nH]c(=O)[nH]c(=O)c12

InChIKey

InChIKey=ZWZYSQNCLQICLU-UHFFFAOYSA-N

Formula

C17H21N5O5

Mass

375.385

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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 - Amphetamine or derivatives - Purinone - Phenylpropane - Alkaloid or derivatives - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Urea - 1,2-aminoalcohol - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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