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2-Amino-9-butyl-3H-purine-6-thione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Amino-9-butyl-3H-purine-6-thione
SpectraBase Compound ID 4puSIXB7qZr
InChI InChI=1S/C9H13N5S/c1-2-3-4-14-5-11-6-7(14)12-9(10)13-8(6)15/h5H,2-4H2,1H3,(H3,10,12,13,15)
InChIKey RNDPRLLVMLFXLY-UHFFFAOYSA-N
Mol Weight 223.3 g/mol
Molecular Formula C9H13N5S
Exact Mass 223.089167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97TnJcEwcYo
Name 2-Amino-9-butyl-3H-purine-6-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N5S
InChI InChI=1S/C9H13N5S/c1-2-3-4-14-5-11-6-7(14)12-9(10)13-8(6)15/h5H,2-4H2,1H3,(H3,10,12,13,15)
InChIKey RNDPRLLVMLFXLY-UHFFFAOYSA-N
Molecular Weight 223.298 g/mol
SMILES Sc1nc(nc2c1nc[n]2CCCC)N
SPLASH splash10-0059-7910000000-eb4ce34febe712a3f435
Synonyms 2-Azanyl-9-butyl-3H-purine-6-thione 9H-Purine-6-thiol, 2-amino-9-butyl-
Wiley ID 1437661