Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=C(N(CC=C)C(=O)N2CCC(COCC2=CC=CC=C2)COCC2=CC=CC=C2)C(Cl)=N1

InChIKey

InChIKey=XNYCPDNVBGSEDS-UHFFFAOYSA-N

Formula

C27H30ClN5O3

Mass

508.02

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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

Purinone - Benzylether - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Urea - Azacycle - Dialkyl ether - Ether - Primary amine - Organic oxide - Amine - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen 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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