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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(phenacylmethyl)thio]-1-butenyl]formamide, hydrogen succinate(ester)

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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(phenacylmethyl)thio]-1-butenyl]formamide, hydrogen succinate(ester)
SpectraBase Compound ID HWOvyrd0okw
InChI InChI=1S/C25H30N4O6S/c1-17(29(16-30)15-20-14-27-18(2)28-25(20)26)22(10-12-35-24(34)9-8-23(32)33)36-13-11-21(31)19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3,(H,32,33)(H2,26,27,28)
InChIKey NYLTYCQOTREASG-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C25H30N4O6S
Exact Mass 514.188606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBbTVKVuJkO
Name N-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-N-{2-[(2-BENZOYLETHYL)THIO]-4-HYDROXY-1-METHYL-1-BUTENYL}FORMAMIDE, HYDROGEN SUCCINATE(ESTER)
Source of Sample J. Klosa, Berlin-Zehlendorf, Berlin, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N4O6S
InChI InChI=1S/C25H30N4O6S/c1-17(29(16-30)15-20-14-27-18(2)28-25(20)26)22(10-12-35-24(34)9-8-23(32)33)36-13-11-21(31)19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3,(H,32,33)(H2,26,27,28)
InChIKey NYLTYCQOTREASG-UHFFFAOYSA-N
Melting Point 122-124C
Molecular Weight 514.61
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms FORMAMIDE, N-//4-AMINO-2-METHYL-5- PYRIMIDINYL/METHYL/-N-/4-HYDROXY-1- METHYL-2-//PHENACYLMETHYL/THIO/-1- BUTENYL/-, HYDROGEN SUCCINATE (ESTER)