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3-{[(E)-(4-fluorophenyl)methylidene]amino}-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 1RioAea5eo8
InChI InChI=1S/C20H20FN3OS/c1-2-5-17-23-19-18(15-6-3-4-7-16(15)26-19)20(25)24(17)22-12-13-8-10-14(21)11-9-13/h8-12H,2-7H2,1H3/b22-12+
InChIKey WPLYVCWZUYDZNN-WSDLNYQXSA-N
Mol Weight 369.46 g/mol
Molecular Formula C20H20FN3OS
Exact Mass 369.131112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UFFNohG43q
Name 3-{[(E)-(4-fluorophenyl)methylidene]amino}-2-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.131111612 u
Formula C20H20FN3OS
InChI InChI=1S/C20H20FN3OS/c1-2-5-17-23-19-18(15-6-3-4-7-16(15)26-19)20(25)24(17)22-12-13-8-10-14(21)11-9-13/h8-12H,2-7H2,1H3/b22-12+
InChIKey WPLYVCWZUYDZNN-WSDLNYQXSA-N
Molecular Weight 369.458 g/mol
SMILES C12=C(N=C(CCC)N(C2=O)\N=C\C2=CC=C(C=C2)F)SC2=C1CCCC2