Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC=C(C=C1)N1C(C)=CN2C1=NC1=C2C(=O)N(CCN2CCCCC2)C(=O)N1C

InChIKey

InChIKey=ZBFYTMDMNUGLJX-UHFFFAOYSA-N

Formula

C25H30N6O4

Mass

478.553

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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

1-phenylimidazole - Xanthine - 6-oxopurine - Benzoate ester - Purinone - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Amino acid or derivatives - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen 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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