Compound Identification
SMILES
NS(=O)(=O)OC[C@@H]1CC[C@@H](C1)NC1=NC=NC=C1C(=O)C1=NN(CC2=C(Cl)C=CC(I)=C2)C=C1
InChIKey
InChIKey=UBLSTODGGVBFQJ-CJNGLKHVSA-N
Formula
C21H22ClIN6O4S
Mass
616.86
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
Aryl ketones Secondary alkylarylamines Iodobenzenes Chlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl iodides Aryl chlorides Vinylogous amides Pyrazoles Organic sulfuric acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid or derivatives - Aryl ketone - Secondary aliphatic/aromatic amine - Iodobenzene - Halobenzene - Chlorobenzene - Aminopyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Pyrazole - Organic sulfuric acid or derivatives - Azole - Ketone - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Amine - 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