Compound Identification
SMILES
COC(=O)C1=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=UNAPPZFBUALFDH-UHFFFAOYSA-N
Formula
C31H26N8O2
Mass
542.603
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 Benzylamines Phenylmethylamines Carbonylimidazoles Aralkylamines N-substituted imidazoles Methyl esters Triazoles Heteroaromatic compounds Amino acids and derivatives Azetidines Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Pyridyltriazole - Pyridyl-1,2,4-triazole - Imidazo[1,2-a]pyrimidine - Benzylamine - Phenylmethylamine - Imidazole-4-carbonyl group - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Triazole - Methyl ester - Heteroaromatic compound - 1,2,4-triazole - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azetidine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - 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