Compound Identification
SMILES
CCOC(=O)C1=C(N)C2=C(N=C(SC)N=C2S1)C1=CC(Br)=CC=C1
InChIKey
InChIKey=LMSQHLVRXKHMSK-UHFFFAOYSA-N
Formula
C16H14BrN3O2S2
Mass
424.33
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
Thienopyrimidines Thiophene carboxylic acids and derivatives Alkylarylthioethers Bromobenzenes Aminothiophenes Aryl bromides Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Thienopyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alkylarylthioether - Aminothiophene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Amino acid or derivatives - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Primary amine - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur 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