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3-AMINO-2-[4-[4-(2-METHOXYPHENYL)-PIPERAZIN-1-YL]-BUTYL]-5,6,7,8-TETRAHYDRO-3H-BENZO-[4,5]-THIENO-[2,3-D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID Cokfo8yVt4G
InChI InChI=1S/C25H33N5O2S/c1-32-20-10-4-3-9-19(20)29-16-14-28(15-17-29)13-7-6-12-22-27-24-23(25(31)30(22)26)18-8-2-5-11-21(18)33-24/h3-4,9-10H,2,5-8,11-17,26H2,1H3
InChIKey NYDWHNVOJFAHSU-UHFFFAOYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C25H33N5O2S
Exact Mass 467.235496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32LbWwx89Gv
Name 3-AMINO-2-[4-[4-(2-METHOXYPHENYL)-PIPERAZIN-1-YL]-BUTYL]-5,6,7,8-TETRAHYDRO-3H-BENZO-[4,5]-THIENO-[2,3-D]-PYRIMIDIN-4-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33N5O2S
InChI InChI=1S/C25H33N5O2S/c1-32-20-10-4-3-9-19(20)29-16-14-28(15-17-29)13-7-6-12-22-27-24-23(25(31)30(22)26)18-8-2-5-11-21(18)33-24/h3-4,9-10H,2,5-8,11-17,26H2,1H3
InChIKey NYDWHNVOJFAHSU-UHFFFAOYSA-N
Literature Reference Author K.M.AL-TAISAN,H.M.A.AL-HAZIMI,S.S.AL-SHIHRY
Literature Reference Citation MOLECULES,15,3932(2010)
Literature Reference DOI 10.3390/molecules15063932
Molecular Weight 467.629 g/mol
Sample ID 70944
Solvent CDCl3