Compound Identification
SMILES
C1CN2CCC1[C@H](C2)OC1=NC=C(C=N1)C1=CC2=C(OC(=N2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=BVZJRDALCRCJQU-QFIPXVFZSA-N
Formula
C24H22N4O2
Mass
398.466
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Phenyl-1,3-oxazoles Benzoxazoles Quinuclidines Alkyl aryl ethers Piperidines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Phenyl-1,3-oxazole - Benzoxazole - Quinuclidine - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Oxazole - Azole - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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