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N-[(6,7-DIHYDRO-6-THIOXO-1H-PURIN-7-YL)-(PYRROLIDIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE

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N-[(6,7-DIHYDRO-6-THIOXO-1H-PURIN-7-YL)-(PYRROLIDIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE
SpectraBase Compound ID 1ocEA4ZaFiK
InChI InChI=1S/C17H15N7O3S/c25-15(11-3-5-12(6-4-11)24(26)27)21-17(22-7-1-2-8-22)23-10-20-14-13(23)16(28)19-9-18-14/h3-6,9-10H,1-2,7-8H2,(H,18,19,28)/b21-17+
InChIKey KZESRAUDNHUYFR-HEHNFIMWSA-N
Mol Weight 397.41 g/mol
Molecular Formula C17H15N7O3S
Exact Mass 397.095709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gEBWkgJ39x
Name N-[(6,7-DIHYDRO-6-THIOXO-1H-PURIN-7-YL)-(PYRROLIDIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15N7O3S
InChI InChI=1S/C17H15N7O3S/c25-15(11-3-5-12(6-4-11)24(26)27)21-17(22-7-1-2-8-22)23-10-20-14-13(23)16(28)19-9-18-14/h3-6,9-10H,1-2,7-8H2,(H,18,19,28)/b21-17+
InChIKey KZESRAUDNHUYFR-HEHNFIMWSA-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 397.411 g/mol
Solvent DMSO-D6
Source File Reference UWED11102