Compound Identification
SMILES
COC1=C(OCC2=CC=C(Br)C=C2)C(I)=CC(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)=C1
InChIKey
InChIKey=STXLPPRHXHXTII-UHFFFAOYSA-N
Formula
C25H24BrIN2O5
Mass
639.284
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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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 Bromobenzenes Aryl bromides Aryl iodides Diazinanes Dicarboximides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Iodobenzene - N-acyl urea - Ureide - Benzenoid - Aryl iodide - Monocyclic benzene moiety - Aryl halide - Aryl bromide - 1,3-diazinane - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organobromide - Organic oxygen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen 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