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2-(3-METHYL-5-OXO-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-7-YLTHIO)-ETHANE-NITRILE
SpectraBase Compound ID 68P7PPziUFy
InChI InChI=1S/C23H18N6OS/c1-14-17-18(15-8-4-2-5-9-15)19-20(26-23(27-22(19)30)31-13-12-24)25-21(17)29(28-14)16-10-6-3-7-11-16/h2-11,18H,13H2,1H3,(H2,25,26,27,30)
InChIKey ODWSTCJJISFNMK-UHFFFAOYSA-N
Mol Weight 426.5 g/mol
Molecular Formula C23H18N6OS
Exact Mass 426.12628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dqrknpbmPH
Name 2-(3-METHYL-5-OXO-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-7-YLTHIO)-ETHANE-NITRILE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18N6OS
InChI InChI=1S/C23H18N6OS/c1-14-17-18(15-8-4-2-5-9-15)19-20(26-23(27-22(19)30)31-13-12-24)25-21(17)29(28-14)16-10-6-3-7-11-16/h2-11,18H,13H2,1H3,(H2,25,26,27,30)
InChIKey ODWSTCJJISFNMK-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 426.496 g/mol
Sample ID 912
Solvent DMSO-D6