Compound Identification
SMILES
FC1=CC=C(CN2C(=S)NC(=O)[C@@H](C=NCCCN3CCOCC3)C2=O)C=C1
InChIKey
InChIKey=QQIGIBRHILDFGD-MRXNPFEDSA-N
Formula
C19H23FN4O3S
Mass
406.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Thiobarbituric 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
Thiobarbituric acid derivatives
Alternative Parents
Fluorobenzenes 1,3-dicarbonyl compounds Aryl fluorides Diazinanes Morpholines Trialkylamines Thioureas Shiff bases Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiobarbiturate - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Morpholine - Benzenoid - 1,3-dicarbonyl compound - Oxazinane - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Shiff base - Aldimine - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Imine - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.
External Descriptors
Not available