Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=C(Br)C(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)=C1
InChIKey
InChIKey=HEPXHXCSTKPACV-UHFFFAOYSA-N
Formula
C26H26BrN3O7
Mass
572.412
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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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
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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
Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Bromobenzenes Alkyl aryl ethers N-acyl amines Diazinanes Dicarboximides Organic carbonic acids and derivatives Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Bromoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Barbiturate - Phenoxy compound - Nitroaromatic compound - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Benzenoid - N-acyl-amine - 1,3-diazinane - Monocyclic benzene moiety - Dicarboximide - Organic nitro compound - Carbonic acid derivative - C-nitro compound - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organobromide - Organic hyponitrite - 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