Compound Identification
SMILES
CS(=O)(=O)CCCN1N=C(C(=O)NCC2=CC=C(Cl)C=C2)C(=O)C2=C1C=CC(CN1CCOCC1)=C2
InChIKey
InChIKey=PESYDWOLBHBIGV-UHFFFAOYSA-N
Formula
C25H29ClN4O5S
Mass
533.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Cinnolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
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 Aryl chlorides Morpholines Pyridazines and derivatives Heteroaromatic compounds Sulfones Vinylogous amides Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds 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 - Benzenoid - Pyridazine - Heteroaromatic compound - Vinylogous amide - Sulfone - Sulfonyl - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Azacycle - Oxacycle - Ether - Organosulfur compound - Organohalogen compound - Amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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