Compound Identification
SMILES
[Cl-].CCCCOCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=C(CCCC)S1
InChIKey
InChIKey=YFLNNAUYQUMXIN-UHFFFAOYSA-M
Formula
C20H33ClN4OS
Mass
413.02
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
2,4,5-trisubstituted thiazoles Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Primary amines Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - 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