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Thiosildenafil
SpectraBase Compound ID 92jfl6GXH21
InChI InChI=1S/C22H30N6O3S2/c1-5-7-17-19-20(27(4)25-17)22(32)24-21(23-19)16-14-15(8-9-18(16)31-6-2)33(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,32)
InChIKey LJUBVCQVNMLSTQ-UHFFFAOYSA-N
Mol Weight 490.64 g/mol
Molecular Formula C22H30N6O3S2
Exact Mass 490.182081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMxKgx37qls
Name THIOSILDENAFIL;5-(2-ETHOXY-5-(4-METHYLPIPERAZIN-1-YLSULFONYL)-PHENYL)-1-METHYL-3-PROPYL-1-H-PYRAZOLO-[4.3-D]-PYRIMIDINE-7-(6-H)-THIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N6O3S2
InChI InChI=1S/C22H30N6O3S2/c1-5-7-17-19-20(27(4)25-17)22(32)24-21(23-19)16-14-15(8-9-18(16)31-6-2)33(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,32)
InChIKey LJUBVCQVNMLSTQ-UHFFFAOYSA-N
Literature Reference Author P.ZOU,P.HOU,S.S.Y.OH,Y.M.CHONG,B.C.BLOODWORTH,M.Y.LOW,H.L.KO H
Literature Reference Citation J.PHARM.BIOM.ANAL.,47,279(2008)
Literature Reference DOI 10.1016/j.jpba.2008.01.016
Molecular Weight 490.639 g/mol
Solvent CDCl3
Source File Reference UWMZ44324