Compound Identification
SMILES
CCOC(=O)C1=C(Cl)N=C(SC)N=C1Cl
InChIKey
InChIKey=HXNWMDJXIPNHBK-UHFFFAOYSA-N
Formula
C8H8Cl2N2O2S
Mass
267.12
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
Halopyrimidines Alkylarylthioethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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