Compound Identification
SMILES
Cl.[Cl-].CC1=C(CCOC(=O)C2=CN=CC=C2)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=HZBCZAVRFMDFMT-UHFFFAOYSA-M
Formula
C18H21Cl2N5O2S
Mass
442.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Thiamines
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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
Not available
Direct Parent
Thiamines
Alternative Parents
Pyridinecarboxylic acids 4,5-disubstituted thiazoles Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrochlorides Hydrocarbon derivatives Organooxygen compounds Primary amines Organopnictogen compounds Organic chloride salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Pyridine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Organic salt - 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