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9-(1-Piperidinylmethyl)-1,9-dihydro-6H-purine-6-thione
SpectraBase Compound ID HKy06sELH1j
InChI InChI=1S/C11H15N5S/c17-11-9-10(12-6-13-11)16(7-14-9)8-15-4-2-1-3-5-15/h6-7H,1-5,8H2,(H,12,13,17)
InChIKey JSSLMMRNHVEVHL-UHFFFAOYSA-N
Mol Weight 249.34 g/mol
Molecular Formula C11H15N5S
Exact Mass 249.104817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71pMRBplx8k
Name 9-(1-Piperidinylmethyl)-1,9-dihydro-6H-purine-6-thione
CAS Registry Number 14133-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N5S
InChI InChI=1S/C11H15N5S/c17-11-9-10(12-6-13-11)16(7-14-9)8-15-4-2-1-3-5-15/h6-7H,1-5,8H2,(H,12,13,17)
InChIKey JSSLMMRNHVEVHL-UHFFFAOYSA-N
Molecular Weight 249.336 g/mol
SMILES N1C=Nc2c(C1=S)nc[n]2CN1CCCCC1
SPLASH splash10-0002-9200000000-87be37027233e8a5ce0f
Synonyms 9-(1-piperidin-1-iumylmethyl)-6-purinethiolate 9-(1-piperidinylmethyl)-3H-purine-6-thione 9-(1-piperidylmethyl)-3H-purine-6-thione 9-(piperidin-1-ium-1-ylmethyl)purine-6-thiolate 9-(piperidin-1-ylmethyl)-3H-purine-6-thione 9-(piperidinomethyl)-3H-purine-6-thione 9-Piperidin-1-ylmethyl-1,9-dihydro-purine-6-thione
Wiley ID 1460747