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2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-ethylphenyl)-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 73WRyxmeTo1
InChI InChI=1S/C29H31N5O3S/c1-4-19-10-12-21(13-11-19)25-24(26(35)30-22-14-16-23(37-3)17-15-22)29(2,36)34-27(31-25)32-28(33-34)38-18-20-8-6-5-7-9-20/h5-17,24-25,36H,4,18H2,1-3H3,(H,30,35)(H,31,32,33)
InChIKey FZLRIWCNCDSOBD-UHFFFAOYSA-N
Mol Weight 529.66 g/mol
Molecular Formula C29H31N5O3S
Exact Mass 529.214761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvCOj3j0lLJ
Name 2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-ethylphenyl)-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31N5O3S
InChI InChI=1S/C29H31N5O3S/c1-4-19-10-12-21(13-11-19)25-24(26(35)30-22-14-16-23(37-3)17-15-22)29(2,36)34-27(31-25)32-28(33-34)38-18-20-8-6-5-7-9-20/h5-17,24-25,36H,4,18H2,1-3H3,(H,30,35)(H,31,32,33)
InChIKey FZLRIWCNCDSOBD-UHFFFAOYSA-N
Molecular Weight 529.659 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCc1ccccc1)(O)C)C(Nc1ccc(cc1)OC)=O)c1ccc(cc1)CC
SPLASH splash10-0a4l-7921000000-a3bd660f9c376f7c4ec8
Source of Spectrum F-67-9394-4g
Wiley ID 1691229