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CYCLOPENTYNAFIL;5-[2-ETHOXY-5-(4-CYCLO-PENTYLPIPERAZIN-1-YLSULFONYL)-PHENYL]-1-METHYL-3-PROPYL-1,6-DIHDRO-7H-PYRAZOLO-[4,3-D]-PYRIMIDIN-7-ONE

View entire compound with spectra: 1 NMR

CYCLOPENTYNAFIL;5-[2-ETHOXY-5-(4-CYCLO-PENTYLPIPERAZIN-1-YLSULFONYL)-PHENYL]-1-METHYL-3-PROPYL-1,6-DIHDRO-7H-PYRAZOLO-[4,3-D]-PYRIMIDIN-7-ONE
SpectraBase Compound ID 3hKinBErej5
InChI InChI=1S/C26H36N6O4S/c1-4-8-21-23-24(30(3)29-21)26(33)28-25(27-23)20-17-19(11-12-22(20)36-5-2)37(34,35)32-15-13-31(14-16-32)18-9-6-7-10-18/h11-12,17-18H,4-10,13-16H2,1-3H3,(H,27,28,33)
InChIKey HXKIXTHMBBUCQE-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C26H36N6O4S
Exact Mass 528.251875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRDNDhd1KKx
Name CYCLOPENTYNAFIL;5-[2-ETHOXY-5-(4-CYCLO-PENTYLPIPERAZIN-1-YLSULFONYL)-PHENYL]-1-METHYL-3-PROPYL-1,6-DIHDRO-7H-PYRAZOLO-[4,3-D]-PYRIMIDIN-7-ONE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36N6O4S
InChI InChI=1S/C26H36N6O4S/c1-4-8-21-23-24(30(3)29-21)26(33)28-25(27-23)20-17-19(11-12-22(20)36-5-2)37(34,35)32-15-13-31(14-16-32)18-9-6-7-10-18/h11-12,17-18H,4-10,13-16H2,1-3H3,(H,27,28,33)
InChIKey HXKIXTHMBBUCQE-UHFFFAOYSA-N
Literature Reference Author T.HASEGAWA,K.TAKAHASHI,M.SAIJO,T.ISHI,T.NAGATA,M.KURIHARA,Y. GODA,N.KAWAHARA
Literature Reference Citation CHEM.PHARM.BULL.,57,185(2009)
Literature Reference DOI 10.1248/cpb.57.185
Molecular Weight 528.670 g/mol
Sample ID 1969
Solvent CDCl3