Compound Identification
SMILES
CC1=CC(C)=C(N2C(=O)NC(=O)\C(=C\NCCCN3C=CN=C3)C2=O)C(C)=C1
InChIKey
InChIKey=NCMCHYVRMYKKBE-WJDWOHSUSA-N
Formula
C20H23N5O3
Mass
381.436
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
-
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 N-substituted imidazoles Diazinanes Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Dicarboximides Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Allylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Ureide - N-acyl urea - Benzenoid - N-substituted imidazole - 1,3-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Imidazole - Dicarboximide - Azole - Urea - Carbonic acid derivative - Amino acid or derivatives - Allylamine - Azacycle - Secondary amine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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