Compound Identification
SMILES
[Cl-].CC1=C(CCOCCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=GFOZNKHLFXWLSX-UHFFFAOYSA-N
Formula
C14H23ClN4O8P2S
Mass
504.82
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
Organic pyrophosphates Monoalkyl phosphates Aminopyrimidines and derivatives 4,5-disubstituted thiazoles Imidolactams Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine - Organic pyrophosphate - Monoalkyl phosphate - Aminopyrimidine - 4,5-disubstituted 1,3-thiazole - Imidolactam - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Heteroaromatic compound - Thiazole - Azole - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - 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