Structure Information
Structure

Compound Identification

SMILES

COCC[NH2+]CC1=NC2=C(N1CC1=CC=CC=C1Cl)C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=YKWDOAAXXZBLDH-UHFFFAOYSA-O

Formula

C18H23ClN5O3

Mass

392.86

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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 - Pyrimidone - Halobenzene - Chlorobenzene - Aralkylamine - Benzenoid - Aryl halide - N-substituted imidazole - Pyrimidine - Aryl chloride - Monocyclic benzene moiety - Vinylogous amide - Imidazole - Quaternary ammonium salt - Azole - Heteroaromatic compound - Urea - Lactam - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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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