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6-AMINO-4-BENZYL-5-CYANO-1-[4-[1-[4-(ISOPROPYLAMINO)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-YL]-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-2(1H)-PYRIMIDINONE

View entire compound with spectra: 1 NMR

6-AMINO-4-BENZYL-5-CYANO-1-[4-[1-[4-(ISOPROPYLAMINO)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-YL]-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-2(1H)-PYRIMIDINONE
SpectraBase Compound ID 1lBBEFn8u1y
InChI InChI=1S/C27H25N11OS/c1-16(2)30-24-32-25(34-26(33-24)40-3)37-15-22(35-36-37)18-9-11-19(12-10-18)38-23(29)20(14-28)21(31-27(38)39)13-17-7-5-4-6-8-17/h4-12,15-16H,13,29H2,1-3H3,(H,30,32,33,34)
InChIKey OXUWANVVHSVDFV-UHFFFAOYSA-N
Mol Weight 551.63 g/mol
Molecular Formula C27H25N11OS
Exact Mass 551.196426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWuJkQdD46o
Name 6-AMINO-4-BENZYL-5-CYANO-1-[4-[1-[4-(ISOPROPYLAMINO)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-YL]-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-2(1H)-PYRIMIDINONE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25N11OS
InChI InChI=1S/C27H25N11OS/c1-16(2)30-24-32-25(34-26(33-24)40-3)37-15-22(35-36-37)18-9-11-19(12-10-18)38-23(29)20(14-28)21(31-27(38)39)13-17-7-5-4-6-8-17/h4-12,15-16H,13,29H2,1-3H3,(H,30,32,33,34)
InChIKey OXUWANVVHSVDFV-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 551.629 g/mol
Sample ID 72745
Solvent DMSO-D6