Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)N(CCO)C2=C(N(CC3=CC(Br)=C(OC)C=C3)C(NC3CCCC3O)=N2)C1=O

InChIKey

InChIKey=RCJYGWGQCPDYSL-UHFFFAOYSA-N

Formula

C22H28BrN5O5

Mass

522.4

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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 - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclopentanol - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Cyclic alcohol - Imidazole - Urea - Secondary alcohol - Lactam - Secondary amine - Azacycle - Alkanolamine - Ether - Organic oxide - Organic oxygen compound - Organohalogen compound - Alcohol - Primary alcohol - Organooxygen compound - Organopnictogen compound - Organobromide - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - 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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