Compound Identification
SMILES
NCCCNCC1=C(F)C=C(C=C1)C1=CN=C(NC(=O)NCC2=NC3=CC=CC=C3N2)NC1=O
InChIKey
InChIKey=MSMHJHWMBRDZJF-UHFFFAOYSA-N
Formula
C23H25FN8O2
Mass
464.505
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
Benzimidazoles Phenylmethylamines Benzylamines Pyrimidones Aralkylamines Fluorobenzenes Aryl fluorides Hydropyrimidines Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Benzimidazole - Benzylamine - Phenylmethylamine - Halobenzene - Fluorobenzene - Aralkylamine - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Urea - Lactam - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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