Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(NC(=S)NN2C(=O)C3=CC=CC=C3N=C2C2=CC=CC=C2)C=CC(Cl)=C1

InChIKey

InChIKey=KLKOXOPIHWLRCF-UHFFFAOYSA-N

Formula

C21H14ClN5O3S

Mass

451.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Quinazolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quinazoline - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Pyrimidone - Monocyclic benzene moiety - Aryl chloride - Pyrimidine - Aryl halide - Benzenoid - Heteroaromatic compound - Organic nitro compound - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organosulfur compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.

External Descriptors

Not available

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