Compound Identification
SMILES
O[C@@H]1CCP(=O)([C@H]1N1C=C(C#N)C(=O)N(CC2=CC=C(Cl)C=C2)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=VSUFQTWWEWRWKZ-WCKUMYLWSA-N
Formula
C22H19ClN3O4P
Mass
455.83
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 Pyrimidones
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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
Pyrimidones
Alternative Parents
Phenylphosphines and derivatives Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Phospholanes Organophosphine oxides Heteroaromatic compounds Ureas Secondary alcohols Lactams Phosphacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Halobenzene - Pyrimidone - Phenylphosphine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Phospholane - Organophosphine oxide - Lactam - Urea - Secondary alcohol - Phosphacycle - Azacycle - Carbonitrile - Nitrile - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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