Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1C1N2NC(SCC3=CC=CC=C3Cl)=NC2=NC2=C1C(=O)CCC2
InChIKey
InChIKey=GSWXONJUFBBRCR-UHFFFAOYSA-N
Formula
C22H18ClN5O3S
Mass
467.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Cyclohexenones Aryl chlorides Hydropyrimidines Triazolines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Imines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Nitrobenzene - Nitroaromatic compound - Halobenzene - Chlorobenzene - Cyclohexenone - Aryl chloride - Benzenoid - Hydropyrimidine - Aryl halide - 1,6-dihydropyrimidine - Monocyclic benzene moiety - Triazoline - Organic nitro compound - Ketone - C-nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Imine - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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