Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CC1=CN=C(CCCOC2=CC=CC(NC(N)=NCC(F)(F)F)=N2)NC1=O
InChIKey
InChIKey=MIBXGXQQSNIVFF-BTJKTKAUSA-N
Formula
C20H23F3N6O6
Mass
500.435
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 Pyrimidones
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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
Pyrimidones
Alternative Parents
Alkyl aryl ethers Unsaturated fatty acids Pyridines and derivatives Imidolactams Hydropyrimidines Dicarboxylic acids and derivatives Heteroaromatic compounds Lactams Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Alkyl aryl ether - Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - Pyridine - Unsaturated fatty acid - Imidolactam - Fatty acid - Fatty acyl - Heteroaromatic compound - Guanidine - Lactam - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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