Compound Identification
SMILES
CC1=CC=C(C=C1)C1=C2CCCCN2C(=O)N(CCCCN2CCC(CC2)C2=CNC3=CC=CC=C23)C1=O
InChIKey
InChIKey=VXTOWIQSQCYQME-UHFFFAOYSA-N
Formula
C32H38N4O2
Mass
510.682
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
3-alkylindoles Pyridopyrimidines Aralkylamines Toluenes Pyrimidones Piperidines Pyridines and derivatives Substituted pyrroles Vinylogous amides Heteroaromatic compounds Lactams Ureas Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Pyridopyrimidine - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Pyrimidone - Toluene - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Urea - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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