Compound Identification
SMILES
CC1=CC(C)=C(CN2C(=O)C(CN3CCCCC3)C(=O)N(SC3=CC=CC=C3)C2=O)C=C1
InChIKey
InChIKey=LPDFYEDPEVUPPX-UHFFFAOYSA-N
Formula
C25H29N3O3S
Mass
451.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
m-Xylenes Piperidines Diazinanes 1,3-dicarbonyl compounds Dicarboximides Trialkylamines Organic carbonic acids and derivatives Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - M-xylene - Xylene - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - 1,3-dicarbonyl compound - Piperidine - Dicarboximide - Amino acid or derivatives - Carbonic acid derivative - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur 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