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6-D3-Methylthiopurine
SpectraBase Compound ID CBmf1JIsX4R
InChI InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)/i1D3
InChIKey UIJIQXGRFSPYQW-FIBGUPNXSA-N
Mol Weight 169.22 g/mol
Molecular Formula C6H3D3N4S
Exact Mass 169.050148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UKKc8zMGdx
Name 6-D3-Methylthiopurine
Alternate Name(s) 6-(Trideuteriomethylsulfanyl)-7H-purine
CAS Registry Number 33312-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3D3N4S
InChI InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)/i1D3
InChIKey UIJIQXGRFSPYQW-FIBGUPNXSA-N
Molecular Weight 169.220 g/mol
SMILES [nH]1cnc2c1c(ncn2)SC([D])([D])[D]
SPLASH splash10-01b9-7900000000-ee3d21b4c92e56dabf45
Source of Spectrum O-5-281-1
Wiley ID 14197