Compound Identification
SMILES
CSC1=CC(=C(Cl)C=C1)C1=C(C)N=C(N)N=C1N
InChIKey
InChIKey=MZMZSZKZGOIQPS-UHFFFAOYSA-N
Formula
C12H13ClN4S
Mass
280.77
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
Thiophenol ethers Chlorobenzenes Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Aryl thioether - Thiophenol ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Imidolactam - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - 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