Compound Identification
SMILES
NC1=NN2C(=NC(=O)C=C2C2=CC=CC=C2)\C1=N/NC1=CC=C(Br)C=C1
InChIKey
InChIKey=NKNVKEJWJHGLTI-KQWNVCNZSA-N
Formula
C18H13BrN6O
Mass
409.247
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
Pyrazolopyrimidines Phenylhydrazines Bromobenzenes Pyrimidones Aryl bromides Imidolactams Heteroaromatic compounds Vinylogous amides Pyrazoles Amidrazones Hydrazones Azacyclic compounds Amidines Organobromides Organic oxides Hydrocarbon derivatives Amines Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyrimidine - Phenylhydrazine - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Imidolactam - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carboxylic acid amidrazone - Hydrazone - Amidine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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