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benzamide, N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-1H-benzimidazol-5-yl]-3,4-dimethoxy-
SpectraBase Compound ID LK78iVGZHAg
InChI InChI=1S/C25H27N5O3S/c1-6-30-20-9-8-18(28-24(31)17-7-10-21(32-4)22(12-17)33-5)13-19(20)29-23(30)14-34-25-26-15(2)11-16(3)27-25/h7-13H,6,14H2,1-5H3,(H,28,31)
InChIKey NKZPXTIHLLESKP-UHFFFAOYSA-N
Mol Weight 477.58 g/mol
Molecular Formula C25H27N5O3S
Exact Mass 477.183461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAEV39qbJqZ
Name Benzamide, N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-1H-benzimidazol-5-yl]-3,4-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.183460920 u
Formula C25H27N5O3S
InChI InChI=1S/C25H27N5O3S/c1-6-30-20-9-8-18(28-24(31)17-7-10-21(32-4)22(12-17)33-5)13-19(20)29-23(30)14-34-25-26-15(2)11-16(3)27-25/h7-13H,6,14H2,1-5H3,(H,28,31)
InChIKey NKZPXTIHLLESKP-UHFFFAOYSA-N
Molecular Weight 477.583 g/mol
SMILES N(C(C=1C=C(OC)C(=CC1)OC)=O)C1=CC=2N=C(N(CC)C2C=C1)CSC1=NC(C)=CC(=N1)C