Compound Identification
SMILES
CCOC(=O)C1=CN=C(SC)N(C1=O)C1=C(C)C=CC=C1Cl
InChIKey
InChIKey=CTXUVTYXIQHSJP-UHFFFAOYSA-N
Formula
C15H15ClN2O3S
Mass
338.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
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
Hydropyrimidine carboxylic acids and derivatives Toluenes Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Aryl thioether - Chlorobenzene - Halobenzene - Pyrimidone - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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