Compound Identification
SMILES
COC1=C(OCC2=CC=C(Cl)C=C2)C(I)=CC(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)=C1
InChIKey
InChIKey=JQRYRLHBHDOQGJ-UHFFFAOYSA-N
Formula
C25H24ClIN2O5
Mass
594.83
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers N-acyl ureas Iodobenzenes Chlorobenzenes Aryl chlorides Aryl iodides Diazinanes Dicarboximides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - N-acyl urea - Iodobenzene - Halobenzene - Chlorobenzene - Ureide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Aryl iodide - Aryl halide - Dicarboximide - Urea - Carbonic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Organochloride - Organoiodide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - 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