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5-METHYL-3-(PHENYLSULFONYL)--2-PIPERAZIN-1-YL-7,8-DIHYDRO-6-H-CYCLOPENTA-[E]-PYRAZOLO-[1.5-A]-PYRIMIDIN-2-AMINE
SpectraBase Compound ID 9YzdNFiUxsu
InChI InChI=1S/C20H23N5O2S/c1-14-16-8-5-9-17(16)25-19(22-14)18(20(23-25)24-12-10-21-11-13-24)28(26,27)15-6-3-2-4-7-15/h2-4,6-7,21H,5,8-13H2,1H3
InChIKey XOUNKJKURXCIHP-UHFFFAOYSA-N
Mol Weight 397.5 g/mol
Molecular Formula C20H23N5O2S
Exact Mass 397.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PR4TJf2O1H
Name 5-METHYL-3-(PHENYLSULFONYL)--2-PIPERAZIN-1-YL-7,8-DIHYDRO-6-H-CYCLOPENTA-[E]-PYRAZOLO-[1.5-A]-PYRIMIDIN-2-AMINE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23N5O2S
InChI InChI=1S/C20H23N5O2S/c1-14-16-8-5-9-17(16)25-19(22-14)18(20(23-25)24-12-10-21-11-13-24)28(26,27)15-6-3-2-4-7-15/h2-4,6-7,21H,5,8-13H2,1H3
InChIKey XOUNKJKURXCIHP-UHFFFAOYSA-N
Literature Reference Author A.V.IVACHTCHENKO,D.E.DMITRIEV,E.S.GOLOVINA,M.G.KADIEVA,A.G.K ORYAKOVA,V.M.KYSIL,O
Literature Reference Citation J.MED.CHEM.,53,5186(2010)
Literature Reference DOI 10.1021/jm100350r
Molecular Weight 397.495 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47386