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2-([3-(2-Methoxyphenyl)-4(3H)-oxoquinazolin-2-ylmethyl]thio)-N-(2-naphthyl)acetamide
SpectraBase Compound ID G7h9HeKLPec
InChI InChI=1S/C28H23N3O3S/c1-34-25-13-7-6-12-24(25)31-26(30-23-11-5-4-10-22(23)28(31)33)17-35-18-27(32)29-21-15-14-19-8-2-3-9-20(19)16-21/h2-16H,17-18H2,1H3,(H,29,32)
InChIKey JESLBJJIKSZSSH-UHFFFAOYSA-N
Mol Weight 481.57 g/mol
Molecular Formula C28H23N3O3S
Exact Mass 481.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GQKuKXh29g
Name 2-([3-(2-Methoxyphenyl)-4(3H)-oxoquinazolin-2-ylmethyl]thio)-N-(2-naphthyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.146012784 u
Formula C28H23N3O3S
InChI InChI=1S/C28H23N3O3S/c1-34-25-13-7-6-12-24(25)31-26(30-23-11-5-4-10-22(23)28(31)33)17-35-18-27(32)29-21-15-14-19-8-2-3-9-20(19)16-21/h2-16H,17-18H2,1H3,(H,29,32)
InChIKey JESLBJJIKSZSSH-UHFFFAOYSA-N
Molecular Weight 481.570 g/mol
SMILES C1=CC2=C(C=C1)C=C(NC(CSCC=1N(C(C3=C(C=CC=C3)N1)=O)C1=C(C=CC=C1)OC)=O)C=C2