Compound Identification
SMILES
FC1=CC=C(C=C1)C1=C(CCN2CCC(CC2)=CC2=CC=CC=C2F)C=NC(=S)N1
InChIKey
InChIKey=CMVRGGWFOYUREE-UHFFFAOYSA-N
Formula
C24H23F2N3S
Mass
423.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Pyrimidinethiones Fluorobenzenes Aralkylamines 2-Thiopyrimidines Piperidines Hydropyrimidines Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organosulfur compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Fluorobenzene - Halobenzene - Pyrimidinethione - Aralkylamine - Thiopyrimidine - 2-thiopyrimidine - Benzenoid - Aryl fluoride - Piperidine - Monocyclic benzene moiety - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organofluoride - Organonitrogen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen 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