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1-Ethanone, 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1,2-dihydro-6-methyl-1-phenyl-2-thioxo-5-pyrimidinyl]-
SpectraBase Compound ID J9jb9oQ4ESu
InChI InChI=1S/C25H26N4O3S/c1-17-23(18(2)30)24(26-25(33)29(17)20-6-4-3-5-7-20)28-12-10-27(11-13-28)15-19-8-9-21-22(14-19)32-16-31-21/h3-9,14H,10-13,15-16H2,1-2H3
InChIKey WEZXLPMBADUXLF-UHFFFAOYSA-N
Mol Weight 462.57 g/mol
Molecular Formula C25H26N4O3S
Exact Mass 462.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gGc3YGm7XR
Name 1-Ethanone, 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1,2-dihydro-6-methyl-1-phenyl-2-thioxo-5-pyrimidinyl]-
Alternate Name(s) 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-1-phenyl-2-sulfanylidene-5-pyrimidinyl]ethanone 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone
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Formula C25H26N4O3S
InChI InChI=1S/C25H26N4O3S/c1-17-23(18(2)30)24(26-25(33)29(17)20-6-4-3-5-7-20)28-12-10-27(11-13-28)15-19-8-9-21-22(14-19)32-16-31-21/h3-9,14H,10-13,15-16H2,1-2H3
InChIKey WEZXLPMBADUXLF-UHFFFAOYSA-N
Molecular Weight 462.568 g/mol
SMILES C1(=NC(N(C(C)=C1C(=O)C)c1ccccc1)=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2
SPLASH splash10-000i-4940000000-af776808b0cc704a0159
Source of Spectrum IY-1-4599-2
Wiley ID 1653975