Compound Identification
SMILES
[Cl-].OC(=O)C1CCC(=O)N1.Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
InChIKey
InChIKey=IXKSTYQVWKARBZ-UHFFFAOYSA-M
Formula
C17H24ClN5O4S
Mass
429.92
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Thiamines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiamines
Alternative Parents
Proline and derivatives Pyrrolidine carboxylic acids Oxoprolines Aminopyrimidines and derivatives 4,5-disubstituted thiazoles Pyrrolidine-2-ones Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Thiamine - Proline or derivatives - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Oxoproline - Aminopyrimidine - 4,5-disubstituted 1,3-thiazole - Imidolactam - 2-pyrrolidone - Pyrrolidone - Heteroaromatic compound - Thiazole - Pyrrolidine - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiamines. These are compounds containing a thiamine moiety, which is structurally characterized by a 3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl backbone.
External Descriptors
Not available