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
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 Pyrimidones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organosulfur compounds
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