Structure Information
Structure

Compound Identification

SMILES

CCC(NC1=C(CN(CN1C)C1CC1)[N+]([O-])=O)C1=CN=C(Cl)C=C1

InChIKey

InChIKey=QSPVAZMTQVUJNV-UHFFFAOYSA-N

Formula

C16H22ClN5O2

Mass

351.84

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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

Nitropyrimidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitropyrimidine - 2-halopyridine - Aryl chloride - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyridine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitropyrimidines. These are compounds containing a pyrimidine ring which bears a nitro group. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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