Compound Identification
SMILES
CC1=C(CCOC(=O)CBr)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=DGCOUKMXDGTATP-UHFFFAOYSA-N
Formula
C14H18BrN4O2S
Mass
386.29
Taxonomic Classification
Taxonomy Tree
-
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
-
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
4,5-disubstituted thiazoles Aminopyrimidines and derivatives Imidolactams Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Alkyl bromides Carbonyl compounds Organobromides Primary amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl bromide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alkyl halide - Organic cation - 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