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1H-Thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,4-dihydro-6-(4-acetyl-1-piperazinyl)-8-butyl-3,3-dimethyl-
SpectraBase Compound ID 9Oo3M9srj0J
InChI InChI=1S/C21H30N4OS/c1-5-6-7-19-18-14-27-21(3,4)12-16(18)17(13-22)20(23-19)25-10-8-24(9-11-25)15(2)26/h5-12,14H2,1-4H3
InChIKey XTLUTDZQEBXZMS-UHFFFAOYSA-N
Mol Weight 386.56 g/mol
Molecular Formula C21H30N4OS
Exact Mass 386.214033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EEI2CA941p
Name 1H-Thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,4-dihydro-6-(4-acetyl-1-piperazinyl)-8-butyl-3,3-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N4OS
InChI InChI=1S/C21H30N4OS/c1-5-6-7-19-18-14-27-21(3,4)12-16(18)17(13-22)20(23-19)25-10-8-24(9-11-25)15(2)26/h5-12,14H2,1-4H3
InChIKey XTLUTDZQEBXZMS-UHFFFAOYSA-N
Molecular Weight 386.558 g/mol
SMILES c1(c(nc(c2c1CC(SC2)(C)C)CCCC)N1CCN(CC1)C(=O)C)C#N
SPLASH splash10-0f79-5239000000-c6da326eb574c2137c6f
Synonyms 6-(4-acetyl-1-piperazinyl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 6-(4-Acetyl-1-piperazinyl)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile 6-(4-acetylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 6-(4-acetylpiperazino)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile 8-Butyl-6-(4-ethanoylpiperazin-1-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Wiley ID 1457246