Compound Identification
SMILES
O[C@@H]([C@H]1CCCCN1C(=O)C1=CN=C(NCCC2=CC=CC=C2)N=C1C1=CC=CC=C1Cl)C1=CC=CC=C1
InChIKey
InChIKey=SXQWDHBQFSVOIK-XRKRLSELSA-N
Formula
C31H31ClN4O2
Mass
527.07
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
Pyrimidinecarboxylic acids and derivatives N-acylpiperidines Chlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - N-acyl-piperidine - Pyrimidine-5-carboxylic acid or derivatives - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Azacycle - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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