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6-AMINO-5-CYANO-4-(4-METHYLPHENYL)-1-[4-[1-(PHENYLTHIOMETHYL)-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-2(1H)-PYRIMIDINONE

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6-AMINO-5-CYANO-4-(4-METHYLPHENYL)-1-[4-[1-(PHENYLTHIOMETHYL)-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-2(1H)-PYRIMIDINONE
SpectraBase Compound ID 3VuINYlRsLu
InChI InChI=1S/C27H21N7OS/c1-18-7-9-20(10-8-18)25-23(15-28)26(29)34(27(35)30-25)21-13-11-19(12-14-21)24-16-33(32-31-24)17-36-22-5-3-2-4-6-22/h2-14,16H,17,29H2,1H3
InChIKey BWTPIWWHGVFTST-UHFFFAOYSA-N
Mol Weight 491.57 g/mol
Molecular Formula C27H21N7OS
Exact Mass 491.152829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOvR6JW43UN
Name 6-AMINO-5-CYANO-4-(4-METHYLPHENYL)-1-[4-[1-(PHENYLTHIOMETHYL)-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-2(1H)-PYRIMIDINONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H21N7OS
InChI InChI=1S/C27H21N7OS/c1-18-7-9-20(10-8-18)25-23(15-28)26(29)34(27(35)30-25)21-13-11-19(12-14-21)24-16-33(32-31-24)17-36-22-5-3-2-4-6-22/h2-14,16H,17,29H2,1H3
InChIKey BWTPIWWHGVFTST-UHFFFAOYSA-N
Literature Reference Author E.NAJAHI,J.SUDOR,F.CHABCHOUB,F.NEPVEU,F.ZRIBI,R.DUVAL
Literature Reference Citation MOLECULES,15,8841(2010)
Literature Reference DOI 10.3390/molecules1512884
Molecular Weight 491.570 g/mol
Sample ID 72739
Solvent DMSO-D6