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

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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{2-{[2-(p-chlorobenzoyl)ethyl]thio}-4-hydroxy-1-methyl-1-butenyl}formamide, monohydrochloride
SpectraBase Compound ID AnaxsSk0CkF
InChI InChI=1S/C21H25ClN4O3S.ClH/c1-14(26(13-28)12-17-11-24-15(2)25-21(17)23)20(7-9-27)30-10-8-19(29)16-3-5-18(22)6-4-16;/h3-6,11,13,27H,7-10,12H2,1-2H3,(H2,23,24,25);1H
InChIKey JGEXGCWUJFSSPR-UHFFFAOYSA-N
Mol Weight 485.43 g/mol
Molecular Formula C21H26Cl2N4O3S
Exact Mass 484.110267 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LYVsQBBAd46
Name N-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-N-{2-{[2-(p-CHLOROBENZOYL)ETHYL]THIO}4-HYDROXY-1-METHYL-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 C21H26Cl2N4O3S
InChI InChI=1S/C21H25ClN4O3S.ClH/c1-14(26(13-28)12-17-11-24-15(2)25-21(17)23)20(7-9-27)30-10-8-19(29)16-3-5-18(22)6-4-16;/h3-6,11,13,27H,7-10,12H2,1-2H3,(H2,23,24,25);1H
InChIKey JGEXGCWUJFSSPR-UHFFFAOYSA-N
Melting Point 170-172C
Molecular Weight 485.424011
Synonyms THIAMINE 2-/P-CHLOROBENZOYL/ETHYL SULFIDE, MONOHYDROCHLORIDE FORMAMIDE, N-//4-AMINO-2-METHYL-5- PYRIMIDINYL/METHYL/-N-/2-//2-/P-CHLORO- BENZOYL/ETHYL/THIO/-4-HYDROXY-1-METHYL- 1-BUTENYL/-, MONOHYDROCHLORIDE
Technique KBr WAFER