Compound Identification
SMILES
CCOP(=O)(COCCNC1=C(C=O)C(Cl)=NC(N)=N1)OCC
InChIKey
InChIKey=CDLQYPINKGAWGF-UHFFFAOYSA-N
Formula
C12H20ClN4O5P
Mass
366.74
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
Dialkyl alkylphosphonates Aryl-aldehydes Aminopyrimidines and derivatives Phosphonic acid esters Imidolactams Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Halopyrimidine - Aryl-aldehyde - Phosphonic acid diester - Dialkyl alkylphosphonate - Aryl chloride - Aryl halide - Phosphonic acid ester - Imidolactam - Vinylogous halide - Heteroaromatic compound - Vinylogous amide - Organophosphonic acid derivative - Azacycle - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Aldehyde - 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