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6-(4-benzoyl-1-piperazinyl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SpectraBase Compound ID 18tpTUlR6Gz
InChI InChI=1S/C26H32N4OS/c1-4-5-11-23-22-18-32-26(2,3)16-20(22)21(17-27)24(28-23)29-12-14-30(15-13-29)25(31)19-9-7-6-8-10-19/h6-10H,4-5,11-16,18H2,1-3H3
InChIKey FTXCQQTYLLAXRG-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H32N4OS
Exact Mass 448.229683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHnGORNaHH8
Name 6-(4-benzoyl-1-piperazinyl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
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Formula C26H32N4OS
InChI InChI=1S/C26H32N4OS/c1-4-5-11-23-22-18-32-26(2,3)16-20(22)21(17-27)24(28-23)29-12-14-30(15-13-29)25(31)19-9-7-6-8-10-19/h6-10H,4-5,11-16,18H2,1-3H3
InChIKey FTXCQQTYLLAXRG-UHFFFAOYSA-N
Molecular Weight 448.629 g/mol
SMILES c1(c(nc(c2c1CC(SC2)(C)C)CCCC)N1CCN(C(=O)c2ccccc2)CC1)C#N
SPLASH splash10-0pba-9756600000-417279ab1e0dff9ee3d0
Synonyms 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 6-(4-benzoylpiperazino)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 8-Butyl-3,3-dimethyl-6-[4-(phenylcarbonyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Wiley ID 1457740