Structure Information
Structure

Compound Identification

SMILES

CC1=CN=C(N1)\N=C(/N)CCOCCC1=NC=CC(NC(N)=NCC(F)(F)F)=N1

InChIKey

InChIKey=CHMQRGRHUGKSAX-UHFFFAOYSA-N

Formula

C16H22F3N9O

Mass

413.409

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidines and pyrimidine derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Guanidine - Amidine - Carboxylic acid amidine - Dialkyl ether - Ether - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.

External Descriptors

Not available

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