Compound Identification
SMILES
CN1C(=O)N(C)C(=O)C(=CC2=CC(I)=C(OCC#C)C(I)=C2)C1=O
InChIKey
InChIKey=OPTKMSIJEOUSBD-UHFFFAOYSA-N
Formula
C16H12I2N2O4
Mass
550.091
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
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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 Phenol ethers Alkyl aryl ethers N-acyl ureas Iodobenzenes Aryl iodides Diazinanes Dicarboximides Acetylides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ureide - Halobenzene - Iodobenzene - N-acyl urea - Aryl halide - Aryl iodide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Acetylide - Carboxylic acid derivative - Azacycle - Ether - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - 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