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O-Methyl-S-(1-9H-guanine-6-hexyl)-3-methyl-monothiosuccinate
SpectraBase Compound ID 83Pxw8cwK8Q
InChI InChI=1S/C17H25N5O4S/c1-11(9-12(23)26-2)16(25)27-8-6-4-3-5-7-22-10-19-13-14(22)20-17(18)21-15(13)24/h10-11H,3-9H2,1-2H3,(H3,18,20,21,24)
InChIKey CJOZZJMMYZRZBO-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C17H25N5O4S
Exact Mass 395.162725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47wAXB6IBk
Name O-Methyl-S-(1-9H-guanine-6-hexyl)-3-methyl-monothiosuccinate
Alternate Name(s) Methyl 4-((6-(2-amino-6-oxo-1H-purin-9(6H)-yl)hexyl)thio)-3-methyl-4-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N5O4S
InChI InChI=1S/C17H25N5O4S/c1-11(9-12(23)26-2)16(25)27-8-6-4-3-5-7-22-10-19-13-14(22)20-17(18)21-15(13)24/h10-11H,3-9H2,1-2H3,(H3,18,20,21,24)
InChIKey CJOZZJMMYZRZBO-UHFFFAOYSA-N
Molecular Weight 395.478 g/mol
SMILES N1C(=Nc2c(nc[n]2CCCCCCSC(C(CC(=O)OC)C)=O)C1=O)N
SPLASH splash10-01sl-9355000000-26092796c26aeed55323
Source of Spectrum F5-1-3158-3f
Wiley ID 1731497