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2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-bromophenyl)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

View entire compound with spectra: 1 MS (GC)

2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-bromophenyl)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 3Zlr8DZt5K
InChI InChI=1S/C27H26BrN5O3S/c1-27(35)22(24(34)29-20-10-6-7-11-21(20)36-2)23(18-12-14-19(28)15-13-18)30-25-31-26(32-33(25)27)37-16-17-8-4-3-5-9-17/h3-15,22-23,35H,16H2,1-2H3,(H,29,34)(H,30,31,32)
InChIKey NOWISKJPQCBVOY-UHFFFAOYSA-N
Mol Weight 580.5 g/mol
Molecular Formula C27H26BrN5O3S
Exact Mass 579.093974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9m3EQapab1p
Name 2-(Benzylthio)-7-hydroxy-7-methyl-5-(4-bromophenyl)-N-(2-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 C27H26BrN5O3S
InChI InChI=1S/C27H26BrN5O3S/c1-27(35)22(24(34)29-20-10-6-7-11-21(20)36-2)23(18-12-14-19(28)15-13-18)30-25-31-26(32-33(25)27)37-16-17-8-4-3-5-9-17/h3-15,22-23,35H,16H2,1-2H3,(H,29,34)(H,30,31,32)
InChIKey NOWISKJPQCBVOY-UHFFFAOYSA-N
Molecular Weight 580.501 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCc1ccccc1)(O)C)C(Nc1c(OC)cccc1)=O)c1ccc(cc1)Br
SPLASH splash10-0fdo-5956000000-8a6a2d668901f01d282d
Source of Spectrum F-67-9394-4e
Wiley ID 1691231