Compound Identification
SMILES
FC1=CC2=C(C=C1)C=C(CN1[C@@H]3CC[C@@H]1CC(C3)NC(=O)C1=CC=CC=C1C1=CN=CN=C1)C=C2
InChIKey
InChIKey=KPKVUFKNQYKTLE-CLJLJLNGSA-N
Formula
C29H27FN4O
Mass
466.56
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
Naphthalenes Tropane alkaloids Benzamides Benzoyl derivatives Aralkylamines Aryl fluorides Piperidines N-alkylpyrrolidines Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Naphthalene - Benzamide - Benzoic acid or derivatives - Tropane alkaloid - Benzoyl - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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