Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCN1C(=O)N(CC=C)C2=C1N=C(N)N=C2Cl

InChIKey

InChIKey=KBNPXPJFFOFTPK-UHFFFAOYSA-N

Formula

C16H24ClN5O

Mass

337.85

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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 - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Urea - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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