Compound Identification
SMILES
OCC1=CC=CC(=C1)C1=NC(=CC(=N1)N1CCOCC1)C1=CC(NC(=O)C2CCCNC2)=CC=C1
InChIKey
InChIKey=REHKRSXUSGSCQO-UHFFFAOYSA-N
Formula
C27H31N5O3
Mass
473.577
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
Beta amino acids and derivatives Anilides Piperidinecarboxamides Benzyl alcohols N-arylamides Dialkylarylamines Aminopyrimidines and derivatives Morpholines Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Dialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Aromatic alcohols Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Beta amino acid or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - Anilide - Benzyl alcohol - N-arylamide - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Aromatic alcohol - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Primary alcohol - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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