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CHEBI:31449 - Cycotiamine hydrochloride

ChEBI IDCHEBI:31449
ChEBI NameCycotiamine hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC13H16N4O3S.HCl
Net Charge0
Average Mass344.824
Monoisotopic Mass344.07099
SMILESC/C(=C1\CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N.Cl
InChIInChI=1S/C13H16N4O3S.ClH/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14;/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16);1H/b11-8-;
InChIKeyTWKGUAZLHNQNQW-MKFZHGHUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cycotiamine hydrochloride (CHEBI:31449) is a aminopyrimidine (CHEBI:38338)
Synonym  Source
Cycotiamine hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01457KEGG DRUG
Registry NumbersSources
CAS:19488-19-8KEGG COMPOUND