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1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3,7-trimethyl-
SpectraBase Compound ID 1k6s3POIxnp
InChI InChI=1S/C17H23N9O2S/c1-23-11-12(24(2)17(28)25(3)13(11)27)21-16(23)29-9-10-19-14(18)22-15(20-10)26-7-5-4-6-8-26/h4-9H2,1-3H3,(H2,18,19,20,22)
InChIKey MIBKBBRWBSLLJI-UHFFFAOYSA-N
Mol Weight 417.49 g/mol
Molecular Formula C17H23N9O2S
Exact Mass 417.169542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FcINLsgX0dg
Name 1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3,7-trimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.169542189 u
Formula C17H23N9O2S
InChI InChI=1S/C17H23N9O2S/c1-23-11-12(24(2)17(28)25(3)13(11)27)21-16(23)29-9-10-19-14(18)22-15(20-10)26-7-5-4-6-8-26/h4-9H2,1-3H3,(H2,18,19,20,22)
InChIKey MIBKBBRWBSLLJI-UHFFFAOYSA-N
Molecular Weight 417.492 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14768
Solvent DMSO-d6
Source Vendor ID: NMR/10260175; Lab Info: SAD; Lab Number: SAD-EXC0028