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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 D5IAeQXZ5FW
Name 5-[2-ETHOXY-5-(4-METHYLPIPERAZINYLSULFONYL)-PHENYL]-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO-[4,3-D]-PYRIMIDIN-7-THIONE
Compound Number 1
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 K.C.LAI,Y.C.LIU,Y.L.LIN,L.Y.TSAI,J.H.LIN,C.F.LO
Literature Reference Citation J.FOOD.DRUG.ANAL.,18,269(2010)
Molecular Weight 490.639 g/mol
Sample ID 70807
Solvent DMSO-D6