Structure Information
Structure

Compound Identification

SMILES

CCCN1C(=O)N(CCC2=CC=C(NC(C)=O)C=C2)C2=C(N(CCNCC(O)CC)C(CC3=CN=CN=C3)=N2)C1=O

InChIKey

InChIKey=GKZQJJDQSVIQJX-UHFFFAOYSA-N

Formula

C29H38N8O4

Mass

562.675

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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 - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Acetamide - Vinylogous amide - Amino acid or derivatives - Urea - Secondary carboxylic acid amide - Secondary alcohol - Lactam - 1,2-aminoalcohol - Carboxamide group - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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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