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3-Methyl-6-(methylthio)purine
SpectraBase Compound ID Edlhcr24Cc9
InChI InChI=1S/C7H8N4S/c1-11-4-10-7(12-2)5-6(11)9-3-8-5/h3-4H,1-2H3
InChIKey JZJPPRVXJHAHQM-UHFFFAOYSA-N
Mol Weight 180.23 g/mol
Molecular Formula C7H8N4S
Exact Mass 180.046967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EefIPGEwZq1
Name 3-Methyl-6-(methylthio)purine
CAS Registry Number 1008-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N4S
InChI InChI=1S/C7H8N4S/c1-11-4-10-7(12-2)5-6(11)9-3-8-5/h3-4H,1-2H3
InChIKey JZJPPRVXJHAHQM-UHFFFAOYSA-N
Molecular Weight 180.229 g/mol
SMILES C1(SC)=C2C(=NC=N2)N(C)C=N1
SPLASH splash10-001i-5900000000-f290e0e6745b9d51a417
Source of Spectrum O-5-282-2
Synonyms 3-Methyl-6-methylsulfanyl-purine
Wiley ID 17998