Compound Identification
SMILES
COC(=O)C1=C2CC(C)(C)C\C(=N\OC(=O)C3=C(Cl)C=C(C=N3)C(F)(F)F)C2=C(SC)S1
InChIKey
InChIKey=DMJGAUMNMHACOH-ZRGSRPPYSA-N
Formula
C20H18ClF3N2O4S2
Mass
506.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
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Level 5
Pyridinecarboxylic acids
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Level 6
Pyridine-2-carboxylic acids
- Level 7 5-alkyl-2-carboxypyrimidines
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Level 6
Pyridine-2-carboxylic acids
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Level 5
Pyridinecarboxylic acids
-
Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
Direct Parent
5-alkyl-2-carboxypyrimidines
Alternative Parents
Thiophene carboxylic acids and derivatives Alkylarylthioethers Aryl chlorides Vinylogous halides Oxime esters Methyl esters Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-alkyl-2-carboxypyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Vinylogous halide - Oximester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
External Descriptors
Not available