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#4I;(Z)-ETHYL-2-[4-[4-[3-[6-AMINO-5-CYANO-4-(4-METHYLPHENYL)-2-OXOPYRIMIDIN-1(2H)-YL]-PHENYL]-1H-1,2,3-TRIAZOL-1-YL]-BENZYLIDENE]-7-METHYL-3-OXO-5-PHENYL-3,5-D

View entire compound with spectra: 1 NMR

#4I;(Z)-ETHYL-2-[4-[4-[3-[6-AMINO-5-CYANO-4-(4-METHYLPHENYL)-2-OXOPYRIMIDIN-1(2H)-YL]-PHENYL]-1H-1,2,3-TRIAZOL-1-YL]-BENZYLIDENE]-7-METHYL-3-OXO-5-PHENYL-3,5-D
SpectraBase Compound ID 7t6I18sv5
InChI InChI=1S/C43H33N9O4S/c1-4-56-41(54)36-26(3)46-43-52(38(36)29-9-6-5-7-10-29)40(53)35(57-43)21-27-15-19-31(20-16-27)50-24-34(48-49-50)30-11-8-12-32(22-30)51-39(45)33(23-44)37(47-42(51)55)28-17-13-25(2)14-18-28/h5-22,24,38H,4,45H2,1-3H3/b35-21-
InChIKey PNMHPJPMCGNILF-IPHFVPNQSA-N
Mol Weight 771.9 g/mol
Molecular Formula C43H33N9O4S
Exact Mass 771.237622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nLaEH7yQ9i
Name #4I;(Z)-ETHYL-2-[4-[4-[3-[6-AMINO-5-CYANO-4-(4-METHYLPHENYL)-2-OXOPYRIMIDIN-1(2H)-YL]-PHENYL]-1H-1,2,3-TRIAZOL-1-YL]-BENZYLIDENE]-7-METHYL-3-OXO-5-PHENYL-3,5-D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H33N9O4S
InChI InChI=1S/C43H33N9O4S/c1-4-56-41(54)36-26(3)46-43-52(38(36)29-9-6-5-7-10-29)40(53)35(57-43)21-27-15-19-31(20-16-27)50-24-34(48-49-50)30-11-8-12-32(22-30)51-39(45)33(23-44)37(47-42(51)55)28-17-13-25(2)14-18-28/h5-22,24,38H,4,45H2,1-3H3/b35-21-
InChIKey PNMHPJPMCGNILF-IPHFVPNQSA-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 771.853 g/mol
Sample ID 72746
Solvent DMSO-D6