Compound Identification
SMILES
CS(=O)(=O)N1CC[C@H](CNC2=NC(NC3=CN(CCO)N=C3)=NC=C2Cl)C1
InChIKey
InChIKey=CVDXEQFVQUDTGS-LLVKDONJSA-N
Formula
C15H22ClN7O3S
Mass
415.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
-
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
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Aminopyrimidines and derivatives Organosulfonamides Organic sulfonamides Imidolactams Aryl chlorides Sulfonyls Pyrrolidines Pyrazoles Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Imidolactam - Azole - Pyrazole - Pyrrolidine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Alkanolamine - Azacycle - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alcohol - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available