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7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID i7sT0R5QS0
InChI InChI=1S/C20H22N6O2S2/c1-23-16-15(17(27)24(2)20(23)28)26(18(22-16)25-9-5-6-10-25)11-12-29-19-21-13-7-3-4-8-14(13)30-19/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKey VXDCQJARUVZUSX-UHFFFAOYSA-N
Mol Weight 442.56 g/mol
Molecular Formula C20H22N6O2S2
Exact Mass 442.124566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8V6R8Rvdut4
Name 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
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/C20H22N6O2S2/c1-23-16-15(17(27)24(2)20(23)28)26(18(22-16)25-9-5-6-10-25)11-12-29-19-21-13-7-3-4-8-14(13)30-19/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKey VXDCQJARUVZUSX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7612
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: D31305; Labnumber: UZ01F011-2550; SBI_ID: SBI-007615
Temperature 318 °C