Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CCOC1=NC2=C(NC(=O)N2CC2=CC=CC(CC(=O)OC)=C2)C(N)=N1

InChIKey

InChIKey=ROKPNEADMRRKFV-UHFFFAOYSA-N

Formula

C21H28N6O4

Mass

428.493

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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

Purinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6-aminopurine - Purinone - Alkyl aryl ether - Aminopyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Urea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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