Compound Identification
SMILES
OC1=CC=CC(=C1)C#CC1(NC(=S)NC2=C1C=C(Cl)C=C2)C(F)(F)F
InChIKey
InChIKey=WTZQWOMDXDYYEL-UHFFFAOYSA-N
Formula
C17H10ClF3N2OS
Mass
382.79
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
Pyrimidinethiones 2-Thiopyrimidines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl chlorides Thioureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - 2-thiopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Thiopyrimidine - Pyrimidinethione - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Thiourea - Azacycle - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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