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2-N-Benzylpiperazinyl-6-(4-nitrophenyl)-2-thioxo-1,2-dihydropyrimidine-5-carbonitrile
SpectraBase Compound ID JEOXHeLW5jm
InChI InChI=1S/C22H20N6O2S/c23-14-19-20(17-6-8-18(9-7-17)28(29)30)24-22(31)25-21(19)27-12-10-26(11-13-27)15-16-4-2-1-3-5-16/h1-9H,10-13,15H2,(H,24,25,31)
InChIKey LVNYUZQDCQKTOW-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C22H20N6O2S
Exact Mass 432.136845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iq6wwvFaK3F
Name 2-N-Benzylpiperazinyl-6-(4-nitrophenyl)-2-thioxo-1,2-dihydropyrimidine-5-carbonitrile
Alternate Name(s) 4-N-Benzylpiperazinyl-6-(4-nitrophenyl)-2-thioxo-1,2-dihydropyrimidine-5-carbonitrile 4-(4-benzylpiperazin-1-yl)-6-(4-nitrophenyl)-2-thioxo-1,2-dihydropyrimidine-5-carbonitrile 6-(4-nitrophenyl)-4-[4-(phenylmethyl)-1-piperazinyl]-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 4-(4-benzylpiperazin-1-yl)-6-(4-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 4-(4-benzylpiperazin-1-yl)-6-(4-nitrophenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile 6-(4-nitrophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
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Formula C22H20N6O2S
InChI InChI=1S/C22H20N6O2S/c23-14-19-20(17-6-8-18(9-7-17)28(29)30)24-22(31)25-21(19)27-12-10-26(11-13-27)15-16-4-2-1-3-5-16/h1-9H,10-13,15H2,(H,24,25,31)
InChIKey LVNYUZQDCQKTOW-UHFFFAOYSA-N
Molecular Weight 432.502 g/mol
SMILES N1C(=C(C(=NC1=S)N1CCN(CC1)Cc1ccccc1)C#N)c1ccc(N(=O)=O)cc1
SPLASH splash10-067j-9310000000-5fb07d1be786d1a424f2
Source of Spectrum EMC-66-290-6h
Wiley ID 1735509