Compound Identification
SMILES
ICCN(CCI)C1=CC=C(C=C2C(=O)NC(=O)NC2=O)C=C1
InChIKey
InChIKey=IKVNZNBLXLTWHJ-UHFFFAOYSA-N
Formula
C15H15I2N3O3
Mass
539.112
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
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Subclass
Pyrimidines and pyrimidine derivatives
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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
Nitrogen mustard compounds Dialkylarylamines Aniline and substituted anilines N-acyl ureas Diazinanes Dicarboximides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-acyl urea - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Urea - Tertiary amine - Amino acid or derivatives - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Alkyl halide - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl iodide - 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