Compound Identification
SMILES
Cl.COC1=CC=C(C=C1)C1=CN=C(CCC(=O)NCC2CCN(CC3=C(Cl)C(Cl)=CC=C3)C2)N=C1
InChIKey
InChIKey=ALEHGFDYNKPBBW-UHFFFAOYSA-N
Formula
C26H29Cl3N4O2
Mass
535.89
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
Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Dichlorobenzenes Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Fatty amides Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Phenylmethylamine - Methoxybenzene - Benzylamine - 1,2-dichlorobenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Benzenoid - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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