Compound Identification
SMILES
O=C1NC(=S)N(C2CC2)C(=O)[C@H]1C=NCC[NH+]1CC[NH2+]CC1
InChIKey
InChIKey=CNLFIVCUVKIQCQ-NSHDSACASA-P
Formula
C14H23N5O2S
Mass
325.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Thiobarbituric 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
Thiobarbituric acid derivatives
Alternative Parents
N-alkylpiperazines 1,3-dicarbonyl compounds Quaternary ammonium salts Trialkylamines Thioureas Shiff bases Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Thiobarbiturate - N-alkylpiperazine - 1,3-diazinane - 1,4-diazinane - Piperazine - 1,3-dicarbonyl compound - Quaternary ammonium salt - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Shiff base - Tertiary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Aldimine - Secondary amine - Organooxygen compound - Organonitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - Aliphatic 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