Compound Identification
SMILES
FC(F)(F)C(=O)CSC1=NC(=O)CC(=N1)C1=CC=CC=C1
InChIKey
InChIKey=NHXDCXKDCDUZTO-UHFFFAOYSA-N
Formula
C13H9F3N2O2S
Mass
314.28
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Hydropyrimidines Benzene and substituted derivatives Alpha-haloketones N-acylimines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 5,6-dihydropyrimidine - Benzenoid - Alpha-haloketone - Ketone - N-acylimine - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available