Compound Identification
SMILES
COC1=C(OCCOC2=CC(C)=C(C)C=C2)C(Br)=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC=CC(C)=C2)=C1
InChIKey
InChIKey=ZMTAPQYDHUHGOD-UHFFFAOYSA-N
Formula
C29H27BrN2O6
Mass
579.447
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
-
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
o-Xylenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Toluenes Bromobenzenes N-acyl ureas Diazinanes Aryl bromides Dicarboximides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - O-xylene - Xylene - Halobenzene - N-acyl urea - Bromobenzene - Alkyl aryl ether - Toluene - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Aryl bromide - Aryl halide - Dicarboximide - Carbonic acid derivative - Urea - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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