Structure Information
Structure

Compound Identification

SMILES

C[C@H]1C[NH+](CC2=NC3=C(N2CC2=CC(Cl)=CC=C2)C(=O)NC(=O)N3C)C[C@@H](C)O1

InChIKey

InChIKey=IFVUYDJXTWBOHB-BETUJISGSA-O

Formula

C20H25ClN5O3

Mass

418.9

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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 - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - N-substituted imidazole - Morpholine - Oxazinane - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Benzenoid - Aryl chloride - Quaternary ammonium salt - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Oxacycle - Azacycle - Dialkyl ether - Ether - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic cation - 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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