Compound Identification
SMILES
CCOP(C)(=O)C(CCC1=NC(=CC(=O)N1C)C1=CC=CC=C1)P(=O)(OCC)OCC
InChIKey
InChIKey=YXAVACNSPHSTSY-UHFFFAOYSA-N
Formula
C21H32N2O6P2
Mass
470.443
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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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
Phenylpyrimidines
Alternative Parents
Pyrimidones Dialkyl alkylphosphonates Phosphonic acid esters Hydropyrimidines Benzene and substituted derivatives Heteroaromatic compounds Phosphinic acid esters Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Dialkyl alkylphosphonate - Pyrimidone - Phosphonic acid diester - Monocyclic benzene moiety - Hydropyrimidine - Phosphonic acid ester - Benzenoid - Organophosphonic acid derivative - Heteroaromatic compound - Phosphinic acid ester - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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