Compound Identification
SMILES
O.O.Cl.CC1=C(CCOP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=FANVXQCOBPOPEG-UHFFFAOYSA-O
Formula
C12H23ClN4O6PS
Mass
417.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Thiamines
- Level 6 Thiamine phosphates
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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
Thiamines
Direct Parent
Thiamine phosphates
Alternative Parents
Monoalkyl phosphates Aminopyrimidines and derivatives 4,5-disubstituted thiazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine-phosphate - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organic oxygen compound - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrochloride - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiamine phosphates. These are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group.
External Descriptors
Not available