Compound Identification
SMILES
CC(C)OC1=C(C=C(C=C1)C1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC=C1)C(N)=O
InChIKey
InChIKey=NBEOALQTMSOBHK-UHFFFAOYSA-N
Formula
C24H27N5O3
Mass
433.512
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
Phenylmorpholines Benzamides Phenoxy compounds Phenol ethers Dialkylarylamines Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmorpholine - 4-phenylpyrimidine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxazinane - Morpholine - Heteroaromatic compound - Tertiary amine - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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