Compound Identification
SMILES
CC1=NC(=S)C2=C(N1)C=CC(CN(CC#C)C1=CC=CC(=C1)C(F)(F)F)=C2
InChIKey
InChIKey=LHKFZSDUMIPYMF-UHFFFAOYSA-N
Formula
C20H16F3N3S
Mass
387.42
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
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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
Trifluoromethylbenzenes Dialkylarylamines Aniline and substituted anilines Pyrimidinethiones Aralkylamines Heteroaromatic compounds Azacyclic compounds Acetylides Organosulfur compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Quinazoline - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyrimidinethione - Aralkylamine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary amine - Acetylide - Azacycle - Alkyl fluoride - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - 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