Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C2=NN3C(N=C(C=C3C(F)(F)F)C3=CC=CC=C3)=C2Br)SC2=C1CCC(C2)C(C)(C)C
InChIKey
InChIKey=DVBWTVVQEMTQNT-UHFFFAOYSA-N
Formula
C28H26BrF3N4O3S
Mass
635.5
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
Pyrazolo[1,5-a]pyrimidines 2-heteroaryl carboxamides Pyrazole-5-carboxamides Thiophene carboxylic acids and derivatives Aryl bromides Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Vinylogous halides Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous halide - Vinylogous amide - Methyl ester - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen 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