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N,N,5-TRIMETHYL-3-(PHENYLSULFONYL)-7,8-DIHYDRO-6-H-CYCLOPENTA-[E]-PYRAZOLO-[1.5-A]-PYRIMIDIN-2-AMINE
SpectraBase Compound ID 1ArMRaL8bk7
InChI InChI=1S/C18H20N4O2S/c1-12-14-10-7-11-15(14)22-17(19-12)16(18(20-22)21(2)3)25(23,24)13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey WILYTXAYXFAWDN-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C18H20N4O2S
Exact Mass 356.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rP8iDfC7bt
Name N,N,5-TRIMETHYL-3-(PHENYLSULFONYL)-7,8-DIHYDRO-6-H-CYCLOPENTA-[E]-PYRAZOLO-[1.5-A]-PYRIMIDIN-2-AMINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N4O2S
InChI InChI=1S/C18H20N4O2S/c1-12-14-10-7-11-15(14)22-17(19-12)16(18(20-22)21(2)3)25(23,24)13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey WILYTXAYXFAWDN-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 356.442 g/mol
Solvent CDCl3
Source File Reference UWMZ47385