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5-METHYL-3-(PHENYLSULFONYL)--2-PIPERAZIN-1-YL-6,7,8,9-TETRAHYDROPYRAZOLO-[1.5-A]-QUINAZOLIN-2-AMINE
SpectraBase Compound ID FxIWLQWa2ue
InChI InChI=1S/C21H25N5O2S/c1-15-17-9-5-6-10-18(17)26-20(23-15)19(21(24-26)25-13-11-22-12-14-25)29(27,28)16-7-3-2-4-8-16/h2-4,7-8,22H,5-6,9-14H2,1H3
InChIKey UWTGXEFLVAKYPF-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C21H25N5O2S
Exact Mass 411.172896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nahyocqrOm
Name 5-METHYL-3-(PHENYLSULFONYL)--2-PIPERAZIN-1-YL-6,7,8,9-TETRAHYDROPYRAZOLO-[1.5-A]-QUINAZOLIN-2-AMINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25N5O2S
InChI InChI=1S/C21H25N5O2S/c1-15-17-9-5-6-10-18(17)26-20(23-15)19(21(24-26)25-13-11-22-12-14-25)29(27,28)16-7-3-2-4-8-16/h2-4,7-8,22H,5-6,9-14H2,1H3
InChIKey UWTGXEFLVAKYPF-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 411.522 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47387