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N-{5-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
SpectraBase Compound ID 7NVnr5bPaNL
InChI InChI=1S/C12H13N7O3S/c1-6(20)14-11-16-15-7(23-11)4-19-5-13-9-8(19)10(21)18(3)12(22)17(9)2/h5H,4H2,1-3H3,(H,14,16,20)
InChIKey MYOLRXSFOADYLG-UHFFFAOYSA-N
Mol Weight 335.34 g/mol
Molecular Formula C12H13N7O3S
Exact Mass 335.080058 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IpJkOsszXHj
Name N-{5-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H13N7O3S/c1-6(20)14-11-16-15-7(23-11)4-19-5-13-9-8(19)10(21)18(3)12(22)17(9)2/h5H,4H2,1-3H3,(H,14,16,20)
InChIKey MYOLRXSFOADYLG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_998
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9234264; Labnumber: SAD-0000124
Temperature 303 °C