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[4-[4-(4-Fluorophenyl)-1-piperazinyl]-5-methyl-2-phenyl-6-thieno[2,3-D]pyrimidinyl]-phenylmethanone

View entire compound with spectra: 2 NMR, and 1 MS (GC)

[4-[4-(4-Fluorophenyl)-1-piperazinyl]-5-methyl-2-phenyl-6-thieno[2,3-D]pyrimidinyl]-phenylmethanone
SpectraBase Compound ID 87NkEfj5ID
InChI InChI=1S/C30H25FN4OS/c1-20-25-29(35-18-16-34(17-19-35)24-14-12-23(31)13-15-24)32-28(22-10-6-3-7-11-22)33-30(25)37-27(20)26(36)21-8-4-2-5-9-21/h2-15H,16-19H2,1H3
InChIKey ZEXWMJMEQGMRIM-UHFFFAOYSA-N
Mol Weight 508.62 g/mol
Molecular Formula C30H25FN4OS
Exact Mass 508.173311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj2o30FzFaY
Name [4-[4-(4-Fluorophenyl)-1-piperazinyl]-5-methyl-2-phenyl-6-thieno[2,3-D]pyrimidinyl]-phenylmethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.173310777 u
Formula C30H25FN4OS
InChI InChI=1S/C30H25FN4OS/c1-20-25-29(35-18-16-34(17-19-35)24-14-12-23(31)13-15-24)32-28(22-10-6-3-7-11-22)33-30(25)37-27(20)26(36)21-8-4-2-5-9-21/h2-15H,16-19H2,1H3
InChIKey ZEXWMJMEQGMRIM-UHFFFAOYSA-N
Molecular Weight 508.615 g/mol
SMILES C1=2C(=NC(=NC2SC(=C1C)C(=O)C1=CC=CC=C1)C=1C=CC=CC1)N1CCN(CC1)C1=CC=C(C=C1)F