Compound Identification
SMILES
FC(F)(F)C1(NC(=S)NC2=C1C=C(Cl)C=C2)C#CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=XENNIBHFEOYPAE-UHFFFAOYSA-N
Formula
C18H9ClF3N3S
Mass
391.8
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Benzonitriles Pyrimidinethiones 2-Thiopyrimidines Aryl chlorides Thioureas Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Benzonitrile - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Thiourea - Nitrile - Carbonitrile - Azacycle - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - 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