Compound Identification
SMILES
O=C(NCCN1CCOCC1)C1=CC=C(C=C1)C1=C2CCN(C2=NC(=N1)N1CCOCC1)C1=CC=NC=C1
InChIKey
InChIKey=LOFZRPWGRMGWGX-UHFFFAOYSA-N
Formula
C28H33N7O3
Mass
515.618
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
Alkyldiarylamines Pyrrolopyrimidines Benzamides Dialkylarylamines Benzoyl derivatives Aminopyridines and derivatives Aminopyrimidines and derivatives Morpholines Imidolactams Pyrroles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Alkyldiarylamine - Benzamide - Benzoic acid or derivatives - Pyrrolopyrimidine - Benzoyl - Dialkylarylamine - Aminopyrimidine - Aminopyridine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Benzenoid - Imidolactam - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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