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1-Benzenesulfonyl-3-(6-butyl-2-thiophen-2-ylpyrimidin-4-yl)-1H-indole

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1-Benzenesulfonyl-3-(6-butyl-2-thiophen-2-ylpyrimidin-4-yl)-1H-indole
SpectraBase Compound ID BoOjdqW4lKe
InChI InChI=1S/C26H23N3O2S2/c1-2-3-10-19-17-23(28-26(27-19)25-15-9-16-32-25)22-18-29(24-14-8-7-13-21(22)24)33(30,31)20-11-5-4-6-12-20/h4-9,11-18H,2-3,10H2,1H3
InChIKey QMLBKTKIEYWBNS-UHFFFAOYSA-N
Mol Weight 473.61 g/mol
Molecular Formula C26H23N3O2S2
Exact Mass 473.123169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfHU1pw6TDR
Name 1-Benzenesulfonyl-3-(6-butyl-2-thiophen-2-ylpyrimidin-4-yl)-1H-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.123169339 u
Formula C26H23N3O2S2
InChI InChI=1S/C26H23N3O2S2/c1-2-3-10-19-17-23(28-26(27-19)25-15-9-16-32-25)22-18-29(24-14-8-7-13-21(22)24)33(30,31)20-11-5-4-6-12-20/h4-9,11-18H,2-3,10H2,1H3
InChIKey QMLBKTKIEYWBNS-UHFFFAOYSA-N
Molecular Weight 473.609 g/mol
SMILES C=1N(C=2C=CC=CC2C1C1=NC(=NC(=C1)CCCC)C1=CC=CS1)S(=O)(=O)C=1C=CC=CC1