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acetamide, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(2-propenyl)-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-

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acetamide, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(2-propenyl)-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 2lFpJq3ft3K
InChI InChI=1S/C19H18F3N5O4S/c1-4-9-27-14-15(25(2)18(30)26(3)16(14)29)24-17(27)32-10-13(28)23-11-5-7-12(8-6-11)31-19(20,21)22/h4-8H,1,9-10H2,2-3H3,(H,23,28)
InChIKey ZOKCVWCDXMSNPD-UHFFFAOYSA-N
Mol Weight 469.44 g/mol
Molecular Formula C19H18F3N5O4S
Exact Mass 469.10316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8N6D53M3qWp
Name acetamide, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(2-propenyl)-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.103159739 u
Formula C19H18F3N5O4S
InChI InChI=1S/C19H18F3N5O4S/c1-4-9-27-14-15(25(2)18(30)26(3)16(14)29)24-17(27)32-10-13(28)23-11-5-7-12(8-6-11)31-19(20,21)22/h4-8H,1,9-10H2,2-3H3,(H,23,28)
InChIKey ZOKCVWCDXMSNPD-UHFFFAOYSA-N
Molecular Weight 469.439 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17786
Solvent DMSO-d6
Source Vendor ID: NMR/11240265; Lab Info: SAD; Lab Number: 105