Compound Identification
SMILES
CC1=C(C)C2=C(SC(C(=O)N3CC(F)(C3)C3=CC=C(C=C3)C3=CN=CN=C3)=C2N)N=N1
InChIKey
InChIKey=GBMKYTRFTZWJLF-UHFFFAOYSA-N
Formula
C22H19FN6OS
Mass
434.49
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
Phenylazetidines Thiophene carboxamides 2-heteroaryl carboxamides Pyridazines and derivatives Aminothiophenes Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Alkyl fluorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 3-phenylazetidine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aminothiophene - Monocyclic benzene moiety - Pyridazine - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Azetidine - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Primary amine - Amine - Organic oxide - 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