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2-(methylthio)-3-[(E)-(phenylmethylene)amino]-4-pyrimidinone
SpectraBase Compound ID 5FT7dGiePLE
InChI InChI=1S/C12H11N3OS/c1-17-12-13-8-7-11(16)15(12)14-9-10-5-3-2-4-6-10/h2-9H,1H3/b14-9+
InChIKey KPIWEZNHTPOFTO-NTEUORMPSA-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 ECWppiVHeUP
Name 2-(methylthio)-3-[(E)-(phenylmethylene)amino]-4-pyrimidinone
Alternate Name(s) 2-Methylsulfanyl-3-[(E)-(phenylmethylidene)amino]pyrimidin-4-one 3-[(E)-benzalamino]-2-(methylthio)pyrimidin-4-one 3-[(E)-benzylideneamino]-2-methylsulfanyl-pyrimidin-4-one
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Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c1-17-12-13-8-7-11(16)15(12)14-9-10-5-3-2-4-6-10/h2-9H,1H3/b14-9+
InChIKey KPIWEZNHTPOFTO-NTEUORMPSA-N
Molecular Weight 245.300 g/mol
SMILES C1(=NC=CC(N1\N=C\c1ccccc1)=O)SC
SPLASH splash10-0006-4910000000-648d527edc542ccfb6d9
Source of Spectrum J-67-6735-20
Wiley ID 1570880