Compound Identification
SMILES
CN1C=C(C=N1)C1=CC2=C(N=CN=C2N1)C1=CC(F)=C(CNC(=O)C2=NOC(=C2)C(C)(C)C)C=C1
InChIKey
InChIKey=VCIVZQDZXFHOSB-UHFFFAOYSA-N
Formula
C25H24FN7O2
Mass
473.512
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
Pyrrolo[2,3-d]pyrimidines 2-heteroaryl carboxamides Fluorobenzenes Substituted pyrroles Aryl fluorides Pyrazoles Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - 2-heteroaryl carboxamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Isoxazole - Pyrazole - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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