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2-[(4-amino-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]acetic acid methyl ester
SpectraBase Compound ID LSwYwC300HF
InChI InChI=1S/C11H13N3O3S/c1-5-6(2)17-10-8(5)9(12)13-11(14-10)18-4-7(15)16-3/h4H2,1-3H3,(H2,12,13,14)
InChIKey JGFISOGRAAIKNM-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C11H13N3O3S
Exact Mass 267.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5l7E6ZQWHMg
Name 2-[(4-amino-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]acetic acid methyl ester
Alternate Name(s) 2-[(4-amino-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)thio]acetic acid methyl ester methyl 2-(4-amino-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylacetate methyl 2-(4-azanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C11H13N3O3S
InChI InChI=1S/C11H13N3O3S/c1-5-6(2)17-10-8(5)9(12)13-11(14-10)18-4-7(15)16-3/h4H2,1-3H3,(H2,12,13,14)
InChIKey JGFISOGRAAIKNM-UHFFFAOYSA-N
Molecular Weight 267.303 g/mol
SMILES Nc1c2c(nc(n1)SCC(=O)OC)oc(C)c2C
SPLASH splash10-000i-0090000000-73f4cad20efcc077815c
Source of Spectrum Y-38-508-3
Wiley ID 848403