Structure Information
Structure

Compound Identification

SMILES

CCN1C=NC2=C1C(=O)N(CC(=O)NC1=C(C=C(C)C=C1)[N+]([O-])=O)C(=O)N2CC1=CC=CC=C1

InChIKey

InChIKey=WLCNGDDDSVLKSF-UHFFFAOYSA-N

Formula

C23H22N6O5

Mass

462.466

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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 - Anilide - Nitrotoluene - Alkaloid or derivatives - Nitrobenzene - Nitroaromatic compound - N-arylamide - Toluene - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Urea - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - 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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