Structure Information
Structure

Compound Identification

SMILES

CCCCCCCN1C(OC2=CC=C(C=C2)C#N)=NC2=C1C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=SUZVRYGVPOTFAV-UHFFFAOYSA-N

Formula

C21H25N5O3

Mass

395.463

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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

Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Benzonitrile - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Ether - Carbonitrile - Azacycle - Nitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Organic nitrogen 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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