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4-[4-(4-Chlorophenyl)-1-piperazinyl]-5-phenylthieno[2,3-D]pyrimidine
SpectraBase Compound ID Ft58ofguwX2
InChI InChI=1S/C22H19ClN4S/c23-17-6-8-18(9-7-17)26-10-12-27(13-11-26)21-20-19(16-4-2-1-3-5-16)14-28-22(20)25-15-24-21/h1-9,14-15H,10-13H2
InChIKey ZRFORSARTSOKGR-UHFFFAOYSA-N
Mol Weight 406.94 g/mol
Molecular Formula C22H19ClN4S
Exact Mass 406.101896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTAXSLpyr8M
Name 4-[4-(4-Chlorophenyl)-1-piperazinyl]-5-phenylthieno[2,3-D]pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 406.101895502 u
Formula C22H19ClN4S
InChI InChI=1S/C22H19ClN4S/c23-17-6-8-18(9-7-17)26-10-12-27(13-11-26)21-20-19(16-4-2-1-3-5-16)14-28-22(20)25-15-24-21/h1-9,14-15H,10-13H2
InChIKey ZRFORSARTSOKGR-UHFFFAOYSA-N
Molecular Weight 406.935 g/mol
SMILES C1=2C(N3CCN(CC3)C=3C=CC(=CC3)Cl)=NC=NC2SC=C1C1=CC=CC=C1