Compound Identification
SMILES
CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1NS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=FYWYKZAKCVUCLR-UHFFFAOYSA-N
Formula
C18H20N5O5S2
Mass
450.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds 4,5-disubstituted thiazoles Imidolactams Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Primary alcohols Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - 4,5-disubstituted 1,3-thiazole - Organosulfonic acid amide - Benzenoid - Imidolactam - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Azole - Sulfonyl - Thiazole - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - 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