Structure Information
Structure

Compound Identification

SMILES

CN1N=C(C(=O)NCC2=CC=C(Cl)C=C2)C(=O)C2=CC(CN3CCOCC3)=CC(CN3CCSCC3)=C12

InChIKey

InChIKey=LHYKDCJOHNJEFP-UHFFFAOYSA-N

Formula

C27H32ClN5O3S

Mass

542.1

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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

Cinnolines

Alternative Parents

2-heteroaryl carboxamides Aralkylamines Chlorobenzenes Thiomorpholines Pyridazines and derivatives Morpholines Aryl chlorides Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkylthioethers Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnoline - 2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridazine - 1,4-thiazinane - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Thioether - Oxacycle - Azacycle - Dialkylthioether - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnolines. These are organic aromatic compounds containing a benzene fused to a pyridazine ring.

External Descriptors

Not available

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