Compound Identification
SMILES
CC(=O)C1=C(N)C2=C(N=C(NCCCCO)N=C2S1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=ZDYBDGVWFAPUII-UHFFFAOYSA-N
Formula
C18H18Cl2N4O2S
Mass
425.33
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 Aryl alkyl ketones Dichlorobenzenes Secondary alkylarylamines Aminopyrimidines and derivatives Aminothiophenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Alkanolamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Thienopyrimidine - 1,2-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aminothiophene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiophene - Ketone - Azacycle - Alkanolamine - Secondary amine - Organooxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Primary amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - 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