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5-[2-ETHOXY-5-(4-METHYLPIPERAZIN-1-YLSULFONYL)-PHENYL]-2-METHYL-3-PROPYL-6,7-DIHYDRO-2H-PYRAZOLO-[4,3-D]-PYRIMIDIN-7-ONE
SpectraBase Compound ID RyW4LMNd2I
InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(25-27(17)4)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey AEHJOHLAUWUPQW-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C22H30N6O4S
Exact Mass 474.204925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GETcaRJJwVo
Name 5-[2-ETHOXY-5-(4-METHYLPIPERAZIN-1-YLSULFONYL)-PHENYL]-2-METHYL-3-PROPYL-6,7-DIHYDRO-2H-PYRAZOLO-[4,3-D]-PYRIMIDIN-7-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N6O4S
InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(25-27(17)4)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey AEHJOHLAUWUPQW-UHFFFAOYSA-N
Literature Reference Author M.M.EL-ABADELAH,S.S.SABRI,M.A.KHANFAR,H.A.YASIN,W.VOELTER
Literature Reference Citation J.HETCYCL.CHEM.,39,1055(2002)
Literature Reference DOI 10.1002/jhet.5570390532
Molecular Weight 474.578 g/mol
Solvent CDCl3
Source File Reference UWSI20586