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Inherent Properties, Identifiers and References
ChemSpider ID: 340018
Empirical Formula: C10H12N4O2S
Molecular Weight: 252.2929
Nominal Mass: 252 Da
Average Mass: 252.2929 Da
Monoisotopic Mass: 252.068096 Da
Systematic Name: methyl 3-[6-(methylsulfanyl)-9H-purin-9-yl]propanoate
SMILES: O=C(OC)CCn1c2ncnc(SC)c2nc1 Copy
InChI: InChI=1/C10H12N4O2S/c1-16-7(15)3-4-14-6-13-8-9(14)11-5-12-10(8)17​-2/h5-6H,3-4H2,1-2H3 Copy
InChIKey: JVCRRSREYNJAOI-UHFFFAOYAS
Std. InChI: InChI=1S/C10H12N4O2S/c1-16-7(15)3-4-14-6-13-8-9(14)11-5-12-10(8)1​7-2/h5-6H,3-4H2,1-2H3 Copy
Std. InChIKey: JVCRRSREYNJAOI-UHFFFAOYSA-N
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