Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2C#N)C(I)=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC=CC=C2C)=C1
InChIKey
InChIKey=MITDRGWNKLFDKZ-UHFFFAOYSA-N
Formula
C27H20IN3O5
Mass
593.377
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
Anisoles Phenoxy compounds Benzonitriles Methoxybenzenes Alkyl aryl ethers Toluenes Iodobenzenes N-acyl ureas Aryl iodides Diazinanes Dicarboximides Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organoiodides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzonitrile - Alkyl aryl ether - N-acyl urea - Iodobenzene - Halobenzene - Ureide - Toluene - Aryl halide - Benzenoid - 1,3-diazinane - Monocyclic benzene moiety - Aryl iodide - Dicarboximide - Urea - Carbonic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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