Compound Identification
SMILES
CCOC(=O)C1=CN=C(S\C=C/C(=O)C2=CC=C(F)C=C2)N=C1N
InChIKey
InChIKey=KEHFJAJVWGTKSO-FPLPWBNLSA-N
Formula
C16H14FN3O3S
Mass
347.36
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
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Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxylic acids
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Level 5
Pyrimidinecarboxylic acids and derivatives
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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
Aryl ketones Aryl thioethers Benzoyl derivatives Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Vinylogous thioesters Aryl fluorides Heteroaromatic compounds Enones Vinylogous amides Acryloyl compounds Amino acids and derivatives Carboxylic acid esters Thioenol ethers Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Aryl thioether - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Aminopyrimidine - Aryl fluoride - Aryl halide - Vinylogous thioester - Imidolactam - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Amino acid or derivatives - Ketone - Thioenolether - Carboxylic acid ester - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen 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