Compound Identification
SMILES
O[C@H]([C@@H](O)C([O-])=O)C(O)=O.COCC1=C([C@@H](N(C(=O)NCCC[NH+]2CCC(CC2)C2=CC=CC=N2)C(=O)N1)C1=CC(F)=C(F)C=C1)C(=O)OC
InChIKey
InChIKey=JZGFQNUZPKINEE-FUTSCGIJSA-N
Formula
C32H39F2N5O11
Mass
707.685
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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 Beta hydroxy acids and derivatives Aralkylamines Sugar acids and derivatives Short-chain hydroxy acids and derivatives Fatty acids and conjugates Hydropyrimidines Monosaccharides Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Aryl fluorides Pyridines and derivatives Piperidines Methyl esters Vinylogous amides Enoate esters Quaternary ammonium salts Heteroaromatic compounds 1,2-diols Ureas Amino acids and derivatives Trialkylamines Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Dialkyl ethers Carbonyl compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Pyrimidone - Short-chain hydroxy acid - Fluorobenzene - Sugar acid - Halobenzene - Beta-hydroxy acid - Aralkylamine - Fatty acid - 1,2,3,4-tetrahydropyrimidine - Benzenoid - Hydroxy acid - Monosaccharide - Aryl halide - Hydropyrimidine - Monocyclic benzene moiety - Piperidine - Pyridine - Aryl fluoride - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Quaternary ammonium salt - Carboxylic acid ester - 1,2-diol - Carboxylic acid salt - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Carboxylic acid - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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