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3-(6-amino-8-benzylsulfanyl-purin-3-yl)propane-1,2-diol
SpectraBase Compound ID KmXT4CEyYup
InChI InChI=1S/C15H17N5O2S/c16-13-12-14(20(9-17-13)6-11(22)7-21)19-15(18-12)23-8-10-4-2-1-3-5-10/h1-5,9,11,21-22H,6-8,16H2
InChIKey SNDFULYPDOKCIL-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C15H17N5O2S
Exact Mass 331.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NeSURbJ0Z1
Name 3-(6-amino-8-benzylsulfanyl-purin-3-yl)propane-1,2-diol
Alternate Name(s) 3-[6-amino-8-(benzylthio)purin-3-yl]propane-1,2-diol 3-[6-amino-8-(phenylmethylthio)-3-purinyl]propane-1,2-diol 3-[6-azanyl-8-(phenylmethylsulfanyl)purin-3-yl]propane-1,2-diol
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Formula C15H17N5O2S
InChI InChI=1S/C15H17N5O2S/c16-13-12-14(20(9-17-13)6-11(22)7-21)19-15(18-12)23-8-10-4-2-1-3-5-10/h1-5,9,11,21-22H,6-8,16H2
InChIKey SNDFULYPDOKCIL-UHFFFAOYSA-N
Molecular Weight 331.394 g/mol
SMILES OC(CO)CN1C=2C(N=C(SCc3ccccc3)N2)=C(N=C1)N
SPLASH splash10-000x-9342000000-a94fd6d6ab5311f8a09e
Wiley ID 1451085