Compound Identification
SMILES
NC1=NC(=O)C(CCCOC2=CC=C(NC(=O)CN3CCCCC3)C=C2)=C(N1)C1=CC=CC=C1
InChIKey
InChIKey=MZECOFXKUDIPOR-UHFFFAOYSA-N
Formula
C26H31N5O3
Mass
461.566
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 Anilides Phenoxy compounds Phenol ethers N-arylamides Pyrimidones Alkyl aryl ethers Aminopyrimidines and derivatives Piperidines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - 4-phenylpyrimidine - 5-phenylpyrimidine - Alpha-amino acid or derivatives - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Piperidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - 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