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

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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{2-[(2-benzoylethyl)thio]-4-hydroxy-1-methyl-1-butenyl}formamide, monohydrochloride
SpectraBase Compound ID ABOpSUC5hz9
InChI InChI=1S/C21H26N4O3S.ClH/c1-15(25(14-27)13-18-12-23-16(2)24-21(18)22)20(8-10-26)29-11-9-19(28)17-6-4-3-5-7-17;/h3-7,12,14,26H,8-11,13H2,1-2H3,(H2,22,23,24);1H
InChIKey VKPDNQYVPBUXHS-UHFFFAOYSA-N
Mol Weight 450.99 g/mol
Molecular Formula C21H27ClN4O3S
Exact Mass 450.14924 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HabH9Yq2S98
Name N-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-N-{2-[(2-BENZOYLETHYL)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 C21H27ClN4O3S
InChI InChI=1S/C21H26N4O3S.ClH/c1-15(25(14-27)13-18-12-23-16(2)24-21(18)22)20(8-10-26)29-11-9-19(28)17-6-4-3-5-7-17;/h3-7,12,14,26H,8-11,13H2,1-2H3,(H2,22,23,24);1H
InChIKey VKPDNQYVPBUXHS-UHFFFAOYSA-N
Melting Point 156-158C
Molecular Weight 450.981995
Synonyms THIAMINE 2-BENZOYLETHYL SULFIDE, MONOHYDROCHLORIDE FORMAMIDE, N-//4-AMINO-2-METHYL-5- PYRIMIDINYL/METHYL/-N-/2-//2-BENZOYL- ETHYL/THIO/-4-HYDROXY-1-METHYL-1- BUTENYL/-, MONOHYDROCHLORIDE
Technique KBr WAFER