Compound Identification
SMILES
CCOC1=C(OCC)C(Cl)=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC=C(C=C2)C23CC4CC(CC(C4)C2)C3)=C1
InChIKey
InChIKey=BGMPJEXKPXMZPH-UHFFFAOYSA-N
Formula
C31H33ClN2O5
Mass
549.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 N-acyl ureas Chlorobenzenes Alkyl aryl ethers Diazinanes Aryl chlorides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Barbiturate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Ureide - Halobenzene - N-acyl urea - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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