Compound Identification
SMILES
OC1=CC=C(C=C1)C1N2NC(SCC3=CC=CC=C3Cl)=NC2=NC2=C1C(=O)CCC2
InChIKey
InChIKey=YHTPJSZCNWCCCD-UHFFFAOYSA-N
Formula
C22H19ClN4O2S
Mass
438.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Cyclohexenones Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Hydropyrimidines Aryl chlorides Triazolines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Triazoline - Ketone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organohalogen compound - Organic oxide - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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