Compound Identification
SMILES
ClC1=CC=CC(NC2=NC=CC(=N2)C2=CC=C(NC(=O)C(N3CCOCC3)C3=CC=CC=C3)C=C2)=C1
InChIKey
InChIKey=UIFYJQKYAAAVFS-UHFFFAOYSA-N
Formula
C28H26ClN5O2
Mass
500.0
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
Alpha amino acid amides Phenylacetamides Anilides Aniline and substituted anilines N-arylamides Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes Morpholines Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - 4-phenylpyrimidine - Alpha-amino acid or derivatives - Phenylacetamide - Anilide - N-arylamide - Aniline or substituted anilines - Chlorobenzene - Aminopyrimidine - Halobenzene - Aralkylamine - Oxazinane - Benzenoid - Morpholine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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