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3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 7rpOR4zedtw
InChI InChI=1S/C12H10N4S/c1-17-12-14-6-4-10(16-12)9-7-15-11-8(9)3-2-5-13-11/h2-7H,1H3,(H,13,15)
InChIKey LTZGBOJUOFIIAB-UHFFFAOYSA-N
Mol Weight 242.3 g/mol
Molecular Formula C12H10N4S
Exact Mass 242.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cR0zm57PIo
Name 3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C12H10N4S
InChI InChI=1S/C12H10N4S/c1-17-12-14-6-4-10(16-12)9-7-15-11-8(9)3-2-5-13-11/h2-7H,1H3,(H,13,15)
InChIKey LTZGBOJUOFIIAB-UHFFFAOYSA-N
Molecular Weight 242.300 g/mol
SMILES [nH]1c2c(c(c1)-c1nc(SC)ncc1)cccn2
SPLASH splash10-0002-0920000000-c14a0a2b5a31bfc3e479
Source of Spectrum SO-0-620-6
Synonyms 3-[2-(methylthio)-4-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridine 3-[2-(methylthio)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
Wiley ID 876492