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

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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{4-hydroxy-1-methyl-2-[(2-p-toluoylethyl)thio]-1-butenyl}formamide, monohydrochloride
SpectraBase Compound ID LrD8MPq4RRg
InChI InChI=1S/C22H28N4O3S.ClH/c1-15-4-6-18(7-5-15)20(29)9-11-30-21(8-10-27)16(2)26(14-28)13-19-12-24-17(3)25-22(19)23;/h4-7,12,14,27H,8-11,13H2,1-3H3,(H2,23,24,25);1H
InChIKey ZJZCTCNQTXBBFZ-UHFFFAOYSA-N
Mol Weight 465.01 g/mol
Molecular Formula C22H29ClN4O3S
Exact Mass 464.16489 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID J9ArkiWXiFc
Name N-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-N-{4-HYDROXY-1-METHYL-2-[(2-p-TOLUOYLETHYL)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 C22H29ClN4O3S
InChI InChI=1S/C22H28N4O3S.ClH/c1-15-4-6-18(7-5-15)20(29)9-11-30-21(8-10-27)16(2)26(14-28)13-19-12-24-17(3)25-22(19)23;/h4-7,12,14,27H,8-11,13H2,1-3H3,(H2,23,24,25);1H
InChIKey ZJZCTCNQTXBBFZ-UHFFFAOYSA-N
Melting Point 185-187C
Molecular Weight 465.009003
Synonyms THIAMINE 2-P-TOLUOYLETHYL SULFIDE, MONOHYDROCHLORIDE FORMAMIDE, N-//4-AMINO-2-METHYL-5- PYRIMIDINYL/METHYL/-N-/4-HYDROXY-1- METHYL-2-//2-P-TOLUOYLETHYL/THIO/-1- BUTENYL/-, MONOHYDROCHLORIDE
Technique KBr WAFER