Compound Identification
SMILES
CCC1=NN2C(S1)=NC(=O)\C(=C/C1=CC=C(O1)C1=CC(Cl)=C(F)C=C1)C2=N
InChIKey
InChIKey=SXQCYXYJEHRJRB-STVBAYNWSA-N
Formula
C18H12ClFN4O2S
Mass
402.83
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
Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Imidolactams Hydropyrimidines Thiadiazolines Heteroaromatic compounds Furans N-acylimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Amidines Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Imidolactam - Thiadiazoline - Heteroaromatic compound - Furan - N-acylimine - Oxacycle - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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