Compound Identification
SMILES
FC1=CC=CC(NC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=C(C=C3)C3=NC(=S)NC(=C3)C3=CC=C(Cl)C=C3)=N2)=C1
InChIKey
InChIKey=FBTFYLDQTCFHRP-UHFFFAOYSA-N
Formula
C31H22ClFN8S
Mass
593.08
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
Aniline and substituted anilines 2-Thiopyrimidines Pyrimidinethiones Aminotriazines Chlorobenzenes Fluorobenzenes 1,3,5-triazines Aryl chlorides Aryl fluorides Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Secondary amines Organosulfur compounds Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Aniline or substituted anilines - Amino-1,3,5-triazine - 2-thiopyrimidine - Thiopyrimidine - Aminotriazine - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidinethione - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Hydropyrimidine - Benzenoid - Triazine - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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