Compound Identification
SMILES
CC(C)(C)C(=O)OCOP(=O)(C\C=C/CN1C=C(Cl)C(=O)NC1=O)OCOC(=O)C(C)(C)C
InChIKey
InChIKey=SQOLTWBUVKVYFZ-FPLPWBNLSA-N
Formula
C20H30ClN2O9P
Mass
508.89
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
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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
Pyrimidones Dialkyl alkylphosphonates Aryl chlorides Phosphonic acid esters Dicarboxylic acids and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Azacyclic compounds Organochlorides Organonitrogen compounds Organophosphorus compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkyl alkylphosphonate - Halopyrimidine - Phosphonic acid diester - Pyrimidone - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Phosphonic acid ester - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Organophosphonic acid derivative - Carboxylic acid ester - Urea - Lactam - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organophosphorus compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organochloride - 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