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2-Piperidino-3-(4-chlorophenyl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 9MvlzKxHKvS
InChI InChI=1S/C21H22ClN3OS/c22-14-8-10-15(11-9-14)25-20(26)18-16-6-2-3-7-17(16)27-19(18)23-21(25)24-12-4-1-5-13-24/h8-11H,1-7,12-13H2
InChIKey DVWBAKGCUAEHQU-UHFFFAOYSA-N
Mol Weight 399.94 g/mol
Molecular Formula C21H22ClN3OS
Exact Mass 399.117211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqzG5PVWrvz
Name 2-Piperidino-3-(4-chlorophenyl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN3OS
InChI InChI=1S/C21H22ClN3OS/c22-14-8-10-15(11-9-14)25-20(26)18-16-6-2-3-7-17(16)27-19(18)23-21(25)24-12-4-1-5-13-24/h8-11H,1-7,12-13H2
InChIKey DVWBAKGCUAEHQU-UHFFFAOYSA-N
Molecular Weight 399.940 g/mol
SMILES C1(=Nc2sc3CCCCc3c2C(N1c1ccc(cc1)Cl)=O)N1CCCCC1
SPLASH splash10-0f6t-0109500000-bcc092ef625b35e14f68
Source of Spectrum C5-2004-76-6
Synonyms 3-(4-Chlorophenyl)-2-(1-piperidinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Wiley ID 1616358