Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC(C)CN1C2=C([NH2+]C(CC3=CC=C(Br)C=C3)=N2)C(=O)N(C2=CC=NC=C2)C1=O
InChIKey
InChIKey=ADFHVRQFQBQXOV-UHFFFAOYSA-N
Formula
C23H21BrF3N5O4
Mass
568.351
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 Pyridinylpyrimidines
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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
Pyridinylpyrimidines
Alternative Parents
Xanthines Purinones Alkaloids and derivatives Pyrimidones Bromobenzenes Pyridines and derivatives Aryl bromides Vinylogous amides Alpha-halocarboxylic acids Heteroaromatic compounds Ureas Carboxylic acid salts Lactams Carboxylic acids Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic zwitterions Alkyl fluorides Carbonyl compounds Organobromides Organofluorides Amines Organic oxides
Molecular Framework
Not available
Substituents
Pyridinylpyrimidine - Xanthine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Halobenzene - Bromobenzene - Pyrimidone - Aryl bromide - Monocyclic benzene moiety - Pyridine - Benzenoid - Aryl halide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Lactam - Urea - Azacycle - Carboxylic acid - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors
Not available