Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CCCNCC(O)C3=CC(CO)=C(O)C=C3)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=XNGZKMBINSBRBB-UHFFFAOYSA-N

Formula

C19H25N5O5

Mass

403.439

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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 - Benzyl alcohol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - 1,2-aminoalcohol - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Primary alcohol - 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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