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8-(methylthio)purine
SpectraBase Compound ID R0PIpD51Y8
InChI InChI=1S/C6H6N4S/c1-11-6-9-4-2-7-3-8-5(4)10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey OOUSHFSJKWPYDZ-UHFFFAOYSA-N
Mol Weight 166.2 g/mol
Molecular Formula C6H6N4S
Exact Mass 166.031317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B23d8TUwzGy
Name 1H-Purine, 8-(methylthio)-
CAS Registry Number 33426-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4S
InChI InChI=1S/C6H6N4S/c1-11-6-9-4-2-7-3-8-5(4)10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey OOUSHFSJKWPYDZ-UHFFFAOYSA-N
Molecular Weight 166.202 g/mol
SMILES [nH]1c(nc2cncnc12)SC
SPLASH splash10-014i-9600000000-5c443bb0310424c77746
Source of Spectrum OS-5-113-0
Synonyms 8-(Methylsulfanyl)-7H-purine 8-(methylthio)-7H-purine 8-(Methylthio)purine 9H-Purine, 8-(methylthio)- Thiopurine, 8-methyl- AI3-50268 NSC 24128
Wiley ID 1161880