Compound Identification
SMILES
CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1NS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=DRUXFLODQXHJSF-UHFFFAOYSA-N
Formula
C19H23N4O3S2
Mass
419.54
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
P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds 4,5-disubstituted thiazoles Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine - P-toluenesulfonamide - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - 4,5-disubstituted 1,3-thiazole - Toluene - Imidolactam - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Aminosulfonyl compound - Sulfonyl - Thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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