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9-[[1-(benzyl)-4-piperidyl]methyl]-6-(methylthio)purine
SpectraBase Compound ID EDVAaXQAvOy
InChI InChI=1S/C19H23N5S/c1-25-19-17-18(20-13-21-19)24(14-22-17)12-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3
InChIKey PTQXUIGWXLXHBG-UHFFFAOYSA-N
Mol Weight 353.49 g/mol
Molecular Formula C19H23N5S
Exact Mass 353.167417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PYw7wOxyjO
Name 6-(methylthio)-9-[[1-(phenylmethyl)-4-piperidinyl]methyl]purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N5S
InChI InChI=1S/C19H23N5S/c1-25-19-17-18(20-13-21-19)24(14-22-17)12-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3
InChIKey PTQXUIGWXLXHBG-UHFFFAOYSA-N
Molecular Weight 353.488 g/mol
SMILES c12[n](cnc2c(SC)ncn1)CC1CCN(CC1)Cc1ccccc1
SPLASH splash10-0006-9020000000-06ec292ca2e1f1e4950e
Source of Spectrum C5-2002-914-7
Synonyms 6-Methylsulfanyl-9-[[1-(phenylmethyl)piperidin-4-yl]methyl]purine 9-[(1-benzyl-4-piperidyl)methyl]-6-(methylthio)purine 9-[(1-benzyl-4-piperidyl)methyl]-6-methylsulfanyl-purine 9-[(1-benzylpiperidin-4-yl)methyl]-6-methylsulfanylpurine
Wiley ID 1614625