Compound Identification
SMILES
C[C@H](N)C(O)C1=CC=CC=C1.CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1
InChIKey
InChIKey=KXTWNTMDDAPAQC-UDWIMCLZSA-N
Formula
C21H25N3O4
Mass
383.448
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
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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
Phenylpropanes N-acyl ureas Aralkylamines Diazinanes Dicarboximides Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Not available
Substituents
Phenylpropane - Barbiturate - Aralkylamine - Ureide - N-acyl urea - Benzenoid - 1,3-diazinane - Monocyclic benzene moiety - Dicarboximide - Urea - Secondary alcohol - Carbonic acid derivative - 1,2-aminoalcohol - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - 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