Compound Identification
SMILES
CC(C)N(CC1=CC=C(C=C1)N1CCCC1)C(=O)C1=CN=C(N=C1C1=CC=CC=C1Cl)N1CCCCC1
InChIKey
InChIKey=KGHKPSYJQMWJPL-UHFFFAOYSA-N
Formula
C30H36ClN5O
Mass
518.1
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
Phenylpyrrolidines Pyrimidinecarboxamides Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Chlorobenzenes Piperidines Aryl chlorides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 1-phenylpyrrolidine - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrolidine - Pyrrole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - 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