Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=C(OC)C=C(C=C3C(=O)NC(=O)N(C3=O)C3=CC(F)=CC=C3)C=C2)O1
InChIKey
InChIKey=OVYLQJOUMPVCCQ-UHFFFAOYSA-N
Formula
C25H19FN2O8
Mass
494.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Barbituric acid 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
Pyrimidones
Direct Parent
Barbituric acid derivatives
Alternative Parents
Furoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers N-acyl ureas Fluorobenzenes Aryl fluorides Diazinanes Methyl esters Heteroaromatic compounds Dicarboximides Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid ester - Barbiturate - Furoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - N-acyl urea - Fluorobenzene - Ureide - Aryl fluoride - Aryl halide - 1,3-diazinane - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Furan - Methyl ester - Heteroaromatic compound - Carbonic acid derivative - Urea - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organofluoride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available