Compound Identification
SMILES
CC1=CSC(=N1)[C@H](C#N)C(=O)CSC1=NC(=NC2=CC=CC=C12)C(F)(F)F
InChIKey
InChIKey=DWQPBHDRPNRGFY-LLVKDONJSA-N
Formula
C17H11F3N4OS2
Mass
408.42
Taxonomic Classification
Taxonomy Tree
-
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
Alkylarylthioethers 2,4-disubstituted thiazoles Pyrimidines and pyrimidine derivatives Benzenoids Heteroaromatic compounds Ketones Sulfenyl compounds Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Ketone - Carbonitrile - Nitrile - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alkyl halide - Organic oxygen 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