Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)N(C)C(NN=CC2=CC=C(Cl)C=C2)=C([N+]#N)C1=O

InChIKey

InChIKey=RYXNYBDFWBHCKF-UHFFFAOYSA-O

Formula

C13H12ClN6O2

Mass

319.73

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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

Pyrimidones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Organic diazonium salt - Azacycle - Hydrazone - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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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