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N,5-DIMETHYL-3-(PHENYLSULFONYL)-7,8-DIHYDRO-6-H-CYCLOPENTA-[E]-PYRAZOLO-[1.5-A]-PYRIMIDIN-2-AMINE
SpectraBase Compound ID DVUMfGGkJLF
InChI InChI=1S/C17H18N4O2S/c1-11-13-9-6-10-14(13)21-17(19-11)15(16(18-2)20-21)24(22,23)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,20)
InChIKey ZIJHQJYYMUFTLV-UHFFFAOYSA-N
Mol Weight 342.42 g/mol
Molecular Formula C17H18N4O2S
Exact Mass 342.115047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54yMq5eVY0H
Name N,5-DIMETHYL-3-(PHENYLSULFONYL)-7,8-DIHYDRO-6-H-CYCLOPENTA-[E]-PYRAZOLO-[1.5-A]-PYRIMIDIN-2-AMINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N4O2S
InChI InChI=1S/C17H18N4O2S/c1-11-13-9-6-10-14(13)21-17(19-11)15(16(18-2)20-21)24(22,23)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,20)
InChIKey ZIJHQJYYMUFTLV-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 342.416 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47382