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Ethyl 2-((4-(4-[dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetate
SpectraBase Compound ID 52OGW6e87ay
InChI InChI=1S/C26H25N3O2S/c1-4-31-25(30)17-32-26-27-23(19-11-13-22(14-12-19)29(2)3)16-24(28-26)21-10-9-18-7-5-6-8-20(18)15-21/h5-16H,4,17H2,1-3H3
InChIKey IZPHKKIKHMBVHQ-UHFFFAOYSA-N
Mol Weight 443.57 g/mol
Molecular Formula C26H25N3O2S
Exact Mass 443.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDwC7mgY2z7
Name Ethyl 2-((4-(4-[dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetate
Appearance Reddish brown crystals
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Formula C26H25N3O2S
InChI InChI=1S/C26H25N3O2S/c1-4-31-25(30)17-32-26-27-23(19-11-13-22(14-12-19)29(2)3)16-24(28-26)21-10-9-18-7-5-6-8-20(18)15-21/h5-16H,4,17H2,1-3H3
InChIKey IZPHKKIKHMBVHQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4061
Molecular Weight 443.565 g/mol
SMILES C(=O)(CSc1nc(-c2ccc(N(C)C)cc2)cc(-c2ccc3ccccc3c2)n1)OCC
SPLASH splash10-03di-2459000000-354ede86152913ff45b4
Source of Spectrum Y-57-SM22-7b
Wiley ID 1860349