Structure Information
Structure

Compound Identification

SMILES

CCN1C=NC2=C1C(=O)N(CC1=CC(=O)OC3=CC(C)=C(C=C13)C(C)C)C(=O)N2CC1=CC=CC=C1

InChIKey

InChIKey=GIXPUMXUPZJGKI-UHFFFAOYSA-N

Formula

C28H28N4O4

Mass

484.556

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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

Coumarin - Xanthine - 6-oxopurine - Benzopyran - Purinone - 1-benzopyran - Cumene - Alkaloid or derivatives - Pyranone - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyran - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactone - Lactam - Urea - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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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