Compound Identification
SMILES
CCCCCCCCCCCCCCCCOCCCOP(=O)(C\C=C/CN1C=C(Br)C(=O)NC1=O)OCOC(=O)OC(C)C
InChIKey
InChIKey=QQNDAHXUBFFWFQ-ZPHPHTNESA-N
Formula
C32H56BrN2O9P
Mass
723.683
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
Pyrimidones Dialkyl alkylphosphonates Aryl bromides Phosphonic acid esters Carbonic acid diesters Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organobromides Organonitrogen compounds Carbonyl compounds Organophosphorus compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Pyrimidone - Phosphonic acid diester - Dialkyl alkylphosphonate - Carbonic acid diester - Hydropyrimidine - Phosphonic acid ester - Aryl halide - Aryl bromide - Heteroaromatic compound - Organophosphonic acid derivative - Vinylogous amide - Urea - Lactam - Carbonic acid derivative - Azacycle - Dialkyl ether - Ether - Organophosphorus compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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