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3-Methyl-6-D3-methylthiopurine picrate
SpectraBase Compound ID 2junpsGDQHv
InChI InChI=1S/C7H8N4S.C6H3N3O7/c1-11-4-10-7(12-2)5-6(11)9-3-8-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4H,1-2H3;1-2,10H/i2D3;
InChIKey CGWTWEYPOXVBRG-MUTAZJQDSA-N
Mol Weight 412.35 g/mol
Molecular Formula C13H82D3N7O7S
Exact Mass 412.062897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fAsPknxcuW
Name 3-Methyl-6-D3-methylthiopurine picrate
CAS Registry Number 57156-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8D3N7O7S
InChI InChI=1S/C7H8N4S.C6H3N3O7/c1-11-4-10-7(12-2)5-6(11)9-3-8-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4H,1-2H3;1-2,10H/i2D3;
InChIKey CGWTWEYPOXVBRG-MUTAZJQDSA-N
Molecular Weight 412.351 g/mol
SMILES Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.C1=2C(N(C)C=NC2SC([2D])([2D])[2D])=NC=N1
SPLASH splash10-001u-5900000000-14e4534194642d83f90e
Source of Spectrum O5-0-279-0
Wiley ID 1373242