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

View entire compound with spectra: 1 NMR

#4E;6-AMINO-5-CYANO-1-[3-[1-[4-(ISOPROPYLAMINO)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-YL-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-4-(4-METHYLPHENYL)-2(1H)-PYRIMIDINONE
SpectraBase Compound ID D0mIgeqv5BO
InChI InChI=1S/C27H25N11OS/c1-15(2)30-24-32-25(34-26(33-24)40-4)37-14-21(35-36-37)18-6-5-7-19(12-18)38-23(29)20(13-28)22(31-27(38)39)17-10-8-16(3)9-11-17/h5-12,14-15H,29H2,1-4H3,(H,30,32,33,34)
InChIKey GGHIZMMGGKPGAW-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 Ldmcn2s3eGC
Name #4E;6-AMINO-5-CYANO-1-[3-[1-[4-(ISOPROPYLAMINO)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-YL-1H-1,2,3-TRIAZOL-4-YL]-PHENYL]-4-(4-METHYLPHENYL)-2(1H)-PYRIMIDINONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25N11OS
InChI InChI=1S/C27H25N11OS/c1-15(2)30-24-32-25(34-26(33-24)40-4)37-14-21(35-36-37)18-6-5-7-19(12-18)38-23(29)20(13-28)22(31-27(38)39)17-10-8-16(3)9-11-17/h5-12,14-15H,29H2,1-4H3,(H,30,32,33,34)
InChIKey GGHIZMMGGKPGAW-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 72742
Solvent DMSO-D6