Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=C(OC)C=C(C=C3C(=O)NC(=O)N(C3=O)C3=CC(C)=C(C)C=C3)C=C2)O1
InChIKey
InChIKey=HBUSPSVQFDTNBO-UHFFFAOYSA-N
Formula
C27H24N2O8
Mass
504.495
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
Methoxyanilines Furoic acid esters Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Alkyl aryl ethers N-acyl amines Diazinanes Methyl esters Heteroaromatic compounds Enoate esters Dicarboximides Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid ester - Methoxyaniline - Barbiturate - Furoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - N-acyl-amine - 1,3-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Furan - Dicarboximide - Carbonic acid derivative - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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