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(2E)-5-(4-methoxyphenyl)-7-methyl-2-(3-methylbenzylidene)-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

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(2E)-5-(4-methoxyphenyl)-7-methyl-2-(3-methylbenzylidene)-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SpectraBase Compound ID LTZo71BjW0N
InChI InChI=1S/C29H25N3O3S/c1-18-8-7-9-20(16-18)17-24-28(34)32-26(21-12-14-23(35-3)15-13-21)25(19(2)30-29(32)36-24)27(33)31-22-10-5-4-6-11-22/h4-17,26H,1-3H3,(H,31,33)/b24-17+
InChIKey MIQHVALKUFRANY-JJIBRWJFSA-N
Mol Weight 495.6 g/mol
Molecular Formula C29H25N3O3S
Exact Mass 495.161663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5h3OCgfzN2x
Name (2E)-5-(4-Methoxyphenyl)-7-methyl-2-(3-methylbenzylidene)-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.161662848 u
Formula C29H25N3O3S
InChI InChI=1S/C29H25N3O3S/c1-18-8-7-9-20(16-18)17-24-28(34)32-26(21-12-14-23(35-3)15-13-21)25(19(2)30-29(32)36-24)27(33)31-22-10-5-4-6-11-22/h4-17,26H,1-3H3,(H,31,33)/b24-17+
InChIKey MIQHVALKUFRANY-JJIBRWJFSA-N
Molecular Weight 495.597 g/mol
SMILES N(C(C=1C(N2C(=NC1C)S\C(C2=O)=C/C=1C=C(C)C=CC1)C1=CC=C(C=C1)OC)=O)C1=CC=CC=C1