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1-Allyl-4-amino-8-[(5-fluoro-6-methoxy-2-benzimidazolyl)thiomethyl]-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID KLL2sqKFJnr
InChI InChI=1S/C21H23FN4OS/c1-3-8-26-9-7-16(23)14-6-4-5-13(20(14)26)12-28-21-24-17-10-15(22)19(27-2)11-18(17)25-21/h3-6,10-11,16H,1,7-9,12,23H2,2H3,(H,24,25)
InChIKey RSUUQZZJBJHLKG-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H23FN4OS
Exact Mass 398.157661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Rm8W4SpwsI
Name 1-Allyl-4-amino-8-[(5-fluoro-6-methoxy-2-benzimidazolyl)thiomethyl]-1,2,3,4-tetrahydroquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23FN4OS
InChI InChI=1S/C21H23FN4OS/c1-3-8-26-9-7-16(23)14-6-4-5-13(20(14)26)12-28-21-24-17-10-15(22)19(27-2)11-18(17)25-21/h3-6,10-11,16H,1,7-9,12,23H2,2H3,(H,24,25)
InChIKey RSUUQZZJBJHLKG-UHFFFAOYSA-N
Molecular Weight 398.500 g/mol
SMILES [nH]1c2c(nc1SCc1cccc3c1N(CCC3N)CC=C)cc(c(c2)OC)F
SPLASH splash10-001i-0910000000-bb9fc5780ece33be2367
Source of Spectrum E1-38-1585-16
Synonyms 1-Allyl-8-{[(5-fluoro-6-methoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,3,4-tetrahydro-4-quinolinamine 1-Allyl-8-{[(5-fluoro-6-methoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,3,4-tetrahydro-4-quinolinylamine
Wiley ID 1518389