Compound Identification
SMILES
CC1CN(CCN1C(C=O)N1C=NC2=C1N=CC=C2)C1=C(C=C(F)C=C1)C1=CN=C(N=C1)N1CCC(CC1)S(C)(=O)=O
InChIKey
InChIKey=HTLOBVDCSDYYRJ-UHFFFAOYSA-N
Formula
C29H33FN8O3S
Mass
592.69
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
Phenylpiperazines N-arylpiperazines Imidazopyridines Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives N-alkylpiperazines Fluorobenzenes Pyridines and derivatives Piperidines N-substituted imidazoles Aryl fluorides Sulfones Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperazine - 5-phenylpyrimidine - N-arylpiperazine - Imidazopyridine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aminopyrimidine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Piperidine - Pyridine - Benzenoid - Sulfonyl - Sulfone - Azole - Heteroaromatic compound - Imidazole - Tertiary amine - Azacycle - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Aldehyde - Amine - Organic oxygen compound - Organofluoride - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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