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1-(6-amino-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
SpectraBase Compound ID 1urQ4gjvp4q
InChI InChI=1S/C12H11N3OS/c1-7(16)9-10(13)14-11(15-12(9)17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,13,14,15,17)
InChIKey MYASUYIITPVZLT-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C12H11N3OS
Exact Mass 245.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMRba5TRE98
Name 1-(6-amino-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
Alternate Name(s) 1-(6-amino-2-phenyl-4-thioxo-1H-pyrimidin-5-yl)ethanone 1-(6-azanyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c1-7(16)9-10(13)14-11(15-12(9)17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,13,14,15,17)
InChIKey MYASUYIITPVZLT-UHFFFAOYSA-N
Molecular Weight 245.300 g/mol
SMILES N1C(=NC(=C(C1=S)C(=O)C)N)c1ccccc1
SPLASH splash10-0005-0090000000-104f2c401e45f9608f1d
Source of Spectrum F9-1995-1326-5
Wiley ID 1567011