Compound Identification
SMILES
CCS(O)(=O)=O.CCC1=C(C(N)=NC(N)=N1)C1=CC(N=[N+]=[N-])=C(Cl)C=C1
InChIKey
InChIKey=BZCOWENGBZUNOI-UHFFFAOYSA-N
Formula
C14H18ClN7O3S
Mass
399.85
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
Phenylazides Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Azo compounds Azo imides Azacyclic compounds Organic salts Organochlorides Primary amines Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
5-phenylpyrimidine - Phenylazide - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Azo imide - Azo compound - Azacycle - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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