Compound Identification
SMILES
OCC1=CN=C2N=C(C3=CC=C(CN4CC(C4)C4=NC(=NN4)C4=CC=CC=N4)C=C3)C(=CN12)C1=CC=CC=C1
InChIKey
InChIKey=MBSRSYPZNOKBLC-UHFFFAOYSA-N
Formula
C30H26N8O
Mass
514.593
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
Pyridyl-1,2,4-triazoles Imidazo[1,2-a]pyrimidines Phenylmethylamines Benzylamines Aralkylamines N-substituted imidazoles Triazoles Heteroaromatic compounds Trialkylamines Azetidines Azacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Pyridyltriazole - Pyridyl-1,2,4-triazole - Imidazo[1,2-a]pyrimidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - 1,2,4-triazole - Azole - Imidazole - Heteroaromatic compound - Triazole - Azetidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic alcohol - Organic nitrogen compound - Alcohol - Primary alcohol - 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