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3-pyridinecarbonitrile, 2-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-4-(4-methoxyphenyl)-6-phenyl-
SpectraBase Compound ID 6gHQh2KcF0G
InChI InChI=1S/C27H25N7O2S/c1-35-20-9-7-18(8-10-20)21-15-23(19-5-3-2-4-6-19)30-25(22(21)16-28)37-17-24-31-26(29)33-27(32-24)34-11-13-36-14-12-34/h2-10,15H,11-14,17H2,1H3,(H2,29,31,32,33)
InChIKey GYMDBUCAWUPVHO-UHFFFAOYSA-N
Mol Weight 511.6 g/mol
Molecular Formula C27H25N7O2S
Exact Mass 511.179044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22oT5F0ZHRL
Name 3-pyridinecarbonitrile, 2-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-4-(4-methoxyphenyl)-6-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 511.179044245 u
Formula C27H25N7O2S
InChI InChI=1S/C27H25N7O2S/c1-35-20-9-7-18(8-10-20)21-15-23(19-5-3-2-4-6-19)30-25(22(21)16-28)37-17-24-31-26(29)33-27(32-24)34-11-13-36-14-12-34/h2-10,15H,11-14,17H2,1H3,(H2,29,31,32,33)
InChIKey GYMDBUCAWUPVHO-UHFFFAOYSA-N
Molecular Weight 511.604 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11946
Solvent DMSO-d6
Source Vendor ID: ZI/10024494; Lab Info: NKS; Lab Number: NKS-2000018