Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C1=C(C=C(C=NNC2=NC3=C(C=C(Br)C=C3)C(=N2)C2=CC=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=FGAWIYLCQLTMQF-UHFFFAOYSA-N
Formula
C28H20BrN5O4S
Mass
602.46
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
Quinazolinamines Tosyl compounds Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Aryl bromides Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrazones Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Quinazolinamine - Quinazoline - Tosyl compound - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - 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