Compound Identification
SMILES
CC1=C(CCOC2=CC=CC=C2C(N)=O)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=VWTHTMOJKZJHEB-UHFFFAOYSA-O
Formula
C19H22N5O2S
Mass
384.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Thiamines
-
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
Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives 4,5-disubstituted thiazoles Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - 4,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Primary amine - Amine - 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