Compound Identification
SMILES
NC(=O)C1=C(CSC2=CC=C(Cl)C=C2)C(=O)NC(=O)N1
InChIKey
InChIKey=DSEHGKPOWKFDAN-UHFFFAOYSA-N
Formula
C12H10ClN3O3S
Mass
311.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidinecarboxylic acids and derivatives
Alternative Parents
2-heteroaryl carboxamides Thiophenol ethers Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Primary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Urea - Carboxamide group - Primary carboxylic acid amide - Lactam - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
External Descriptors
Not available