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N-[(6-AMINO-9H-PURIN-9-YL)-(PYRROLIDIN-1-YL)-METHYLIDEN]-3-CHLOROBENZO-[B]-THIOPHEN-2-CARBOXAMIDE
SpectraBase Compound ID C7lscUMndyV
InChI InChI=1S/C19H16ClN7OS/c20-13-11-5-1-2-6-12(11)29-15(13)18(28)25-19(26-7-3-4-8-26)27-10-24-14-16(21)22-9-23-17(14)27/h1-2,5-6,9-10H,3-4,7-8H2,(H2,21,22,23)/b25-19+
InChIKey RHZYVMCJMRZDFX-NCELDCMTSA-N
Mol Weight 425.9 g/mol
Molecular Formula C19H16ClN7OS
Exact Mass 425.082557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tfE5zt7bS5
Name N-[(6-AMINO-9H-PURIN-9-YL)-(PYRROLIDIN-1-YL)-METHYLIDEN]-3-CHLOROBENZO-[B]-THIOPHEN-2-CARBOXAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16ClN7OS
InChI InChI=1S/C19H16ClN7OS/c20-13-11-5-1-2-6-12(11)29-15(13)18(28)25-19(26-7-3-4-8-26)27-10-24-14-16(21)22-9-23-17(14)27/h1-2,5-6,9-10H,3-4,7-8H2,(H2,21,22,23)/b25-19+
InChIKey RHZYVMCJMRZDFX-NCELDCMTSA-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 425.895 g/mol
Solvent DMSO-D6
Source File Reference UWED11099