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3-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-propionic acid
SpectraBase Compound ID Gkzq1RR1xCW
InChI InChI=1S/C7H10N4O2S/c8-4-3-5(9)11-7(10-4)14-2-1-6(12)13/h3H,1-2H2,(H,12,13)(H4,8,9,10,11)
InChIKey SNSWUZLQZIBOIP-UHFFFAOYSA-N
Mol Weight 214.24 g/mol
Molecular Formula C7H10N4O2S
Exact Mass 214.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 692Mp90LfOb
Name 3-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-propionic acid
Alternate Name(s) 3-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanylpropanoate 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoic acid 3-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]propanoate 3-[(4,6-Diamino-2-pyrimidinyl)sulfanyl]propanoic acid 3-[(4,6-diamino-2-pyrimidinyl)thio]propanoic acid 3-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]propionate 3-[(4,6-diaminopyrimidin-2-yl)thio]propionic acid 3-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanylpropanoate 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoic acid
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Formula C7H10N4O2S
InChI InChI=1S/C7H10N4O2S/c8-4-3-5(9)11-7(10-4)14-2-1-6(12)13/h3H,1-2H2,(H,12,13)(H4,8,9,10,11)
InChIKey SNSWUZLQZIBOIP-UHFFFAOYSA-N
Molecular Weight 214.243 g/mol
SMILES OC(CCSc1nc(cc(n1)N)N)=O
SPLASH splash10-014i-9500000000-4e90f0b15a394b6c0831
Wiley ID 1464071