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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{4-hydroxy-2-{[2-(4-hydroxy-1-methyl-2-{[2-(2-thenoyl)ethyl]thio}-1-butenyl}formamide, monohydrochloride

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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{4-hydroxy-2-{[2-(4-hydroxy-1-methyl-2-{[2-(2-thenoyl)ethyl]thio}-1-butenyl}formamide, monohydrochloride
SpectraBase Compound ID 9TAG5Dp0qjN
InChI InChI=1S/C19H24N4O3S2.ClH/c1-13(23(12-25)11-15-10-21-14(2)22-19(15)20)17(5-7-24)28-9-6-16(26)18-4-3-8-27-18;/h3-4,8,10,12,24H,5-7,9,11H2,1-2H3,(H2,20,21,22);1H
InChIKey UNQRJUOVIKFEOF-UHFFFAOYSA-N
Mol Weight 457.01 g/mol
Molecular Formula C19H25ClN4O3S2
Exact Mass 456.105661 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Qo4fyjhHd4
Name N-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-N-{4-HYDROXY-1-METHYL-2-{[2-(2-THENOYL)ETHYL]THIO}-1-BUTENYL}FORMAMIDE, MONOHYDROCHLORIDE
Source of Sample J. Klosa, Berlin-Zehlendorf, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25ClN4O3S2
InChI InChI=1S/C19H24N4O3S2.ClH/c1-13(23(12-25)11-15-10-21-14(2)22-19(15)20)17(5-7-24)28-9-6-16(26)18-4-3-8-27-18;/h3-4,8,10,12,24H,5-7,9,11H2,1-2H3,(H2,20,21,22);1H
InChIKey UNQRJUOVIKFEOF-UHFFFAOYSA-N
Melting Point 174-176C
Molecular Weight 457.003998
Synonyms THIAMINE 2-/2-THENOYL/ETHYL SULFIDE, MONOHYDROCHLORIDE FORMAMIDE, N-//4-AMINO-2-METHYL-5- PYRIMIDINYL/METHYL/-N-/4-HYDROXY-1- METHYL-2-//2-/2-THENOYL/ETHYL/THIO/-1- BUTENYL/-, MONOHYDROCHLORIDE
Technique KBr WAFER