Compound Identification
SMILES
ClC1=CC=C(OCCCOC2=CC=C(C=C3C(=O)NC(=O)N(C3=O)C3=CC=C(Br)C=C3)C=C2)C=C1
InChIKey
InChIKey=GXTCAGDDYILXMK-UHFFFAOYSA-N
Formula
C26H20BrClN2O5
Mass
555.81
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 Phenol ethers Alkyl aryl ethers Bromobenzenes N-acyl ureas Chlorobenzenes Aryl bromides Aryl chlorides Diazinanes Dicarboximides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ureide - Bromobenzene - Chlorobenzene - Halobenzene - N-acyl urea - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Dicarboximide - Urea - Carbonic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen 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