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2-(methylthio)-7H-purine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 4gP3c8EoVQq
InChI InChI=1S/C9H10N4O2S/c1-3-15-8(14)6-5-7(11-4-10-5)13-9(12-6)16-2/h4H,3H2,1-2H3,(H,10,11,12,13)
InChIKey YVWMWXUVANXMKY-UHFFFAOYSA-N
Mol Weight 238.26 g/mol
Molecular Formula C9H10N4O2S
Exact Mass 238.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJEigPTpJps
Name 2-(methylthio)-7H-purine-6-carboxylic acid ethyl ester
CAS Registry Number 128033-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N4O2S
InChI InChI=1S/C9H10N4O2S/c1-3-15-8(14)6-5-7(11-4-10-5)13-9(12-6)16-2/h4H,3H2,1-2H3,(H,10,11,12,13)
InChIKey YVWMWXUVANXMKY-UHFFFAOYSA-N
Molecular Weight 238.265 g/mol
SMILES N1C(=C2C(N=C1SC)=NC=N2)C(=O)OCC
SPLASH splash10-03dr-0930000000-510f479caac17185989e
Source of Spectrum Y-26-1865-1
Synonyms Ethyl 2-methylsulfanyl-7H-purine-6-carboxylate
Wiley ID 1239991