Compound Identification
SMILES
CCCC[NH+](CCCC)CC1=CN2C(S1)=NC(C(=O)NCC1=CC(Cl)=C(Cl)C=C1)=C(O)C2=O
InChIKey
InChIKey=KGOFZZXLOVZBPK-UHFFFAOYSA-O
Formula
C23H29Cl2N4O3S
Mass
512.47
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 Dichlorobenzenes Aralkylamines Hydroxypyrimidines Pyrimidones Aryl chlorides Vinylogous acids Heteroaromatic compounds Quaternary ammonium salts Thiazoles Lactams Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Hydroxypyrimidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Vinylogous acid - Azole - Heteroaromatic compound - Thiazole - Quaternary ammonium salt - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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