Compound Identification
SMILES
CCC1=C(C)SC(NC(=O)CSC2=NC3=C(CCC4=CC=CC=C34)C(=N2)C(F)(F)F)=C1C#N
InChIKey
InChIKey=PBCICOXDOPCJBK-UHFFFAOYSA-N
Formula
C23H19F3N4OS2
Mass
488.55
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
Naphthalenes N-arylamides Alkylarylthioethers Pyrimidines and pyrimidine derivatives Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthalene - Quinazoline - Aryl thioether - N-arylamide - Alkylarylthioether - Benzenoid - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carbonitrile - Sulfenyl compound - Thioether - Nitrile - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Cyanide - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Carbonyl group - 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