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1H-purine-2,6-dione, 8-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-
SpectraBase Compound ID 8f4gNxH3C3Q
InChI InChI=1S/C23H27N9O3S/c1-14-6-4-5-7-15(14)12-32-17-18(29(2)23(34)30(3)19(17)33)27-22(32)36-13-16-25-20(24)28-21(26-16)31-8-10-35-11-9-31/h4-7H,8-13H2,1-3H3,(H2,24,25,26,28)
InChIKey POSMYYVDRVKUJM-UHFFFAOYSA-N
Mol Weight 509.59 g/mol
Molecular Formula C23H27N9O3S
Exact Mass 509.195757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ME3OTIee4H
Name 1H-purine-2,6-dione, 8-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.195756936 u
Formula C23H27N9O3S
InChI InChI=1S/C23H27N9O3S/c1-14-6-4-5-7-15(14)12-32-17-18(29(2)23(34)30(3)19(17)33)27-22(32)36-13-16-25-20(24)28-21(26-16)31-8-10-35-11-9-31/h4-7H,8-13H2,1-3H3,(H2,24,25,26,28)
InChIKey POSMYYVDRVKUJM-UHFFFAOYSA-N
Molecular Weight 509.589 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14786
Solvent DMSO-d6
Source Vendor ID: NMR/10320248; Lab Info: SAD; Lab Number: 54