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3-METHYL-7-(2-OXO-PROPYLTHIO)-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
SpectraBase Compound ID 68JMiJINMgG
InChI InChI=1S/C24H21N5O2S/c1-14(30)13-32-24-26-21-20(23(31)27-24)19(16-9-5-3-6-10-16)18-15(2)28-29(22(18)25-21)17-11-7-4-8-12-17/h3-12,19H,13H2,1-2H3,(H2,25,26,27,31)
InChIKey VELPLDRBFFKJKU-UHFFFAOYSA-N
Mol Weight 443.53 g/mol
Molecular Formula C24H21N5O2S
Exact Mass 443.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9njH74teRPP
Name 3-METHYL-7-(2-OXO-PROPYLTHIO)-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H21N5O2S
InChI InChI=1S/C24H21N5O2S/c1-14(30)13-32-24-26-21-20(23(31)27-24)19(16-9-5-3-6-10-16)18-15(2)28-29(22(18)25-21)17-11-7-4-8-12-17/h3-12,19H,13H2,1-2H3,(H2,25,26,27,31)
InChIKey VELPLDRBFFKJKU-UHFFFAOYSA-N
Literature Reference Author T.I.EL-EMARY,S.A.A.EL-MOHSEN
Literature Reference Citation MOLECULES,17,14464(2012)
Literature Reference DOI 10.3390/molecules171214464
Molecular Weight 443.523 g/mol
Sample ID 910
Solvent CDCl3