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8-ETHYL-7-ETHYLTHIO-3-METHYL-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
SpectraBase Compound ID 3M5ss4IDJvu
InChI InChI=1S/C25H25N5OS/c1-4-29-22-21(24(31)27-25(29)32-5-2)20(17-12-8-6-9-13-17)19-16(3)28-30(23(19)26-22)18-14-10-7-11-15-18/h6-15,20,26H,4-5H2,1-3H3
InChIKey SOQVONPXDBOFBA-UHFFFAOYSA-N
Mol Weight 443.57 g/mol
Molecular Formula C25H25N5OS
Exact Mass 443.177982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2aDP2y3pzF
Name 8-ETHYL-7-ETHYLTHIO-3-METHYL-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25N5OS
InChI InChI=1S/C25H25N5OS/c1-4-29-22-21(24(31)27-25(29)32-5-2)20(17-12-8-6-9-13-17)19-16(3)28-30(23(19)26-22)18-14-10-7-11-15-18/h6-15,20,26H,4-5H2,1-3H3
InChIKey SOQVONPXDBOFBA-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 443.566 g/mol
Sample ID 913
Solvent DMSO-D6