Compound Identification
SMILES
COCC1=C(CC(O)=O)C(N(C(=O)NC(CCC2CCN([O-])CC2)C2=CC=CC=N2)C(=O)N1)C1=CC(F)=C(F)C=C1
InChIKey
InChIKey=ORSJTNPDXDYNKF-UHFFFAOYSA-N
Formula
C28H32F2N5O6
Mass
572.59
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
Fluorobenzenes Pyridines and derivatives Piperidines Aryl fluorides Hydropyrimidines Heteroaromatic compounds Ureas Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halobenzene - Fluorobenzene - Pyrimidone - Benzenoid - Pyridine - Piperidine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Urea - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic anion - 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