Compound Identification
SMILES
CCOP(=O)(CCCC(O)CNC1=C(N=NC2=CC=C(Cl)C=C2)C(Cl)=NC(N)=N1)OCC
InChIKey
InChIKey=VMASUNXECJSGQE-UHFFFAOYSA-N
Formula
C19H27Cl2N6O4P
Mass
505.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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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 Chlorobenzenes Dialkyl alkylphosphonates Aryl chlorides Imidolactams Phosphonic acid esters Heteroaromatic compounds Secondary alcohols Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines Organochlorides Organophosphorus compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Chlorobenzene - Halobenzene - Halopyrimidine - Phosphonic acid diester - Dialkyl alkylphosphonate - Aryl halide - Aryl chloride - Imidolactam - Monocyclic benzene moiety - Benzenoid - Phosphonic acid ester - Heteroaromatic compound - Organophosphonic acid derivative - Azo compound - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Alcohol - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Primary 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