Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC2=C(Br)C(=NN2C(=C1)C(F)(F)F)C(=O)NC1=C(C#N)C2=C(CC(CC2)C(C)(C)C)S1
InChIKey
InChIKey=YXPMQSLOJDEPKW-UHFFFAOYSA-N
Formula
C28H25BrF3N5O2S
Mass
632.5
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
Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines Pyrazole-5-carboxamides Phenoxy compounds 2-heteroaryl carboxamides Anisoles Methoxybenzenes Alkyl aryl ethers Aryl bromides Vinylogous halides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organofluorides Organic oxides Alkyl fluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Pyrazole-5-carboxamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organooxygen compound - Alkyl halide - 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