Structure Information
Structure

Compound Identification

SMILES

CC#CCN1C(N(OC(=O)C(F)(F)F)C2=C1C(=O)N(C)C(NC(C)C)=N2)N1CCNCC1

InChIKey

InChIKey=HKEXJBMLVXJLSC-UHFFFAOYSA-N

Formula

C19H26F3N7O3

Mass

457.458

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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 - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Pyrimidone - 1,4-diazinane - Piperazine - Imidolactam - Pyrimidine - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Lactam - Ortho amide - Orthocarboxylic acid derivative - Tertiary amine - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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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