Compound Identification
SMILES
C(C1=NCCN1)C1=CC=CC=C1.CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.CN(CCC1=CC=CC=C1)CCC1=CC=CC=C1
InChIKey
InChIKey=GHFJRIHTLCCTOG-UHFFFAOYSA-N
Formula
C39H45N5O3
Mass
631.821
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
N-acyl ureas Imidolactams Diazinanes Benzene and substituted derivatives Imidazolines Dicarboximides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Barbiturate - N-acyl urea - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Imidolactam - Benzenoid - Dicarboximide - 2-imidazoline - Carbonic acid derivative - Urea - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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