Compound Identification
SMILES
CCN(C1C[C@H](C)[N@+](C)(C(C)=O)C2=C1C=C(C=C2)C1=CN=C(N=C1)N1CCOCC1)C(O)=O
InChIKey
InChIKey=CYJUGUCASFXMMC-PQSNQLBISA-O
Formula
C24H32N5O4
Mass
454.55
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
Hydroquinolines Dialkylarylamines Aminopyrimidines and derivatives Morpholines Benzenoids Heteroaromatic compounds Carbamic acids Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Tetrahydroquinoline - Dialkylarylamine - Aminopyrimidine - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic 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