Compound Identification
SMILES
CC1=CC(=CC=C1)N1C(=S)N=C([O-])\C(=C\C2=CC=C(O2)C2=CC=C(F)C=C2)C1=O
InChIKey
InChIKey=YNQIMWDSIUPEFL-PDGQHHTCSA-M
Formula
C22H14FN2O3S
Mass
405.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Toluenes Pyrimidinethiones Fluorobenzenes Aryl fluorides Hydropyrimidines Heteroaromatic compounds Furans Azacyclic compounds Oxacyclic compounds Carboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organosulfur compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Fluorobenzene - Halobenzene - Toluene - Pyrimidone - Pyrimidinethione - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Heteroaromatic compound - Furan - Carboxylic acid derivative - Oxacycle - Azacycle - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic anion - 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