Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(O)COC3=CC=C(C)C=C3)C(NN=CC3=CC=NC=C3)=N2)C(=O)NC1=O

InChIKey

InChIKey=KHXNSRRAOQASMY-UHFFFAOYSA-N

Formula

C22H23N7O4

Mass

449.471

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Secondary alcohol - Lactam - Hydrazone - Ether - Azacycle - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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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