For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-[(6,9-DIHYDRO-6-THIOXO-1H-PURIN-9-YL)-(PIPERIDIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE

View entire compound with spectra: 1 NMR

N-[(6,9-DIHYDRO-6-THIOXO-1H-PURIN-9-YL)-(PIPERIDIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE
SpectraBase Compound ID EIeeBaHKRnQ
InChI InChI=1S/C18H17N7O3S/c26-16(12-4-6-13(7-5-12)25(27)28)22-18(23-8-2-1-3-9-23)24-11-21-14-15(24)19-10-20-17(14)29/h4-7,10-11H,1-3,8-9H2,(H,19,20,29)/b22-18+
InChIKey UPUHCBWOHADIPR-RELWKKBWSA-N
Mol Weight 411.44 g/mol
Molecular Formula C18H17N7O3S
Exact Mass 411.111359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Dl7moBhDH2t
Name N-[(6,9-DIHYDRO-6-THIOXO-1H-PURIN-9-YL)-(PIPERIDIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N7O3S
InChI InChI=1S/C18H17N7O3S/c26-16(12-4-6-13(7-5-12)25(27)28)22-18(23-8-2-1-3-9-23)24-11-21-14-15(24)19-10-20-17(14)29/h4-7,10-11H,1-3,8-9H2,(H,19,20,29)/b22-18+
InChIKey UPUHCBWOHADIPR-RELWKKBWSA-N
Literature Reference Author W.RIED,H.WOITHE
Literature Reference Citation HELV.CHIM.ACTA,72,1860(1989)
Literature Reference DOI 10.1002/hlca.19890720823
Molecular Weight 411.438 g/mol
Solvent DMSO-D6
Source File Reference UWED11103