Compound Identification
SMILES
NC1=NC=C(NC2CCC(CC2)[As]2SCC(CO)S2)C(Cl)=N1
InChIKey
InChIKey=ADSIPMUAZOABJV-UHFFFAOYSA-N
Formula
C13H20AsClN4OS2
Mass
422.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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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
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Secondary alkylarylamines Cyclohexylamines Aminopyrimidines and derivatives Aryl chlorides Heteroaromatic compounds Trivalent organic arsenic compounds Oxygen-containing organoarsenic compounds Organoarsenic sulfides Organic metalloid salts Azacyclic compounds Primary amines Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Cyclohexylamine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Heteroaromatic compound - Trivalent organic arsenic compound - Azacycle - Organic metalloid salt - Secondary amine - Oxygen-containing organoarsenic compound - Organoarsenic sulfide - Sulfur-containing organoarsenic compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organoarsenic compound - Organic metalloid moeity - Organohalogen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - 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