Compound Identification
SMILES
CCN(CC)C1=CC=C(NN=C2C(=O)N(C)C(=O)N(C)C2=O)C=C1
InChIKey
InChIKey=MJYPYVYNUGRDBI-UHFFFAOYSA-N
Formula
C16H21N5O3
Mass
331.376
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
Phenylhydrazines Dialkylarylamines Aniline and substituted anilines N-acyl ureas Diazinanes Dicarboximides Amino acids and derivatives Hydrazones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenylhydrazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Ureide - N-acyl urea - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Amino acid or derivatives - Tertiary amine - Hydrazone - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - 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