Compound Identification
SMILES
CCN(C1CCN(CC1)C1=CC=CC(=C1)C1=CC2=NC(=NN2C(N)=N1)C1=CC=CO1)C(=O)C(C)C
InChIKey
InChIKey=NLCHWSWWJAGYII-UHFFFAOYSA-N
Formula
C26H31N7O2
Mass
473.581
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
Phenylpiperidines Triazolopyrimidines Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Furans Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperidine - 4-phenylpyrimidine - Triazolopyrimidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Triazole - Tertiary carboxylic acid amide - Azole - Furan - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Primary amine - Amine - Organic oxide - Aromatic heteropolycyclic 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