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7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KXc3BaBuj75
InChI InChI=1S/C19H20N6O2S2/c1-23-15-14(16(26)22-18(23)27)25(17(21-15)24-8-4-5-9-24)10-11-28-19-20-12-6-2-3-7-13(12)29-19/h2-3,6-7H,4-5,8-11H2,1H3,(H,22,26,27)
InChIKey NGSSHQQERRFOLQ-UHFFFAOYSA-N
Mol Weight 428.53 g/mol
Molecular Formula C19H20N6O2S2
Exact Mass 428.108916 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 932YlEFovxv
Name 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-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/C19H20N6O2S2/c1-23-15-14(16(26)22-18(23)27)25(17(21-15)24-8-4-5-9-24)10-11-28-19-20-12-6-2-3-7-13(12)29-19/h2-3,6-7H,4-5,8-11H2,1H3,(H,22,26,27)
InChIKey NGSSHQQERRFOLQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7614
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: D31308; Labnumber: UZ01F011-2555; SBI_ID: SBI-007617
Temperature 318 °C