Structure Information
Structure

Compound Identification

SMILES

CC(C)(OC1=CC=C(Cl)C=C1)C(O)=O.CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=WQRIIYUJYVGZJW-UHFFFAOYSA-N

Formula

C23H32ClN5O7

Mass

525.99

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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

Not available

Substituents

Phenoxyacetate - Xanthine - Purinone - 6-oxopurine - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Pyrimidone - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Pyrimidine - N-substituted imidazole - Benzenoid - Aryl halide - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - 1,2-aminoalcohol - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Alkanolamine - Ether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - 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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