Compound Identification
SMILES
CCOC(=O)C1=CN=C(SC)N(C1=O)C1=CC=CC=C1F
InChIKey
InChIKey=ITDIAJUUYDEGEU-UHFFFAOYSA-N
Formula
C14H13FN2O3S
Mass
308.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxylic acids
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Level 5
Pyrimidinecarboxylic acids and derivatives
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxylic acids
Alternative Parents
Hydropyrimidine carboxylic acids and derivatives Alkylarylthioethers Pyrimidones Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Aryl thioether - Fluorobenzene - Halobenzene - Alkylarylthioether - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors
Not available