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2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one
SpectraBase Compound ID BtScENtexox
InChI InChI=1S/C21H19N3O2S2/c1-2-7-14-12-19(25)23-21(22-14)27-13-20(26)24-15-8-3-5-10-17(15)28-18-11-6-4-9-16(18)24/h3-6,8-12H,2,7,13H2,1H3,(H,22,23,25)
InChIKey ALLGUJNTAHLONN-UHFFFAOYSA-N
Mol Weight 409.52 g/mol
Molecular Formula C21H19N3O2S2
Exact Mass 409.091869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44jla9lcy8W
Name 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one
Alternate Name(s) 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-propyl-1H-pyrimidin-4-one 2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one
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Formula C21H19N3O2S2
InChI InChI=1S/C21H19N3O2S2/c1-2-7-14-12-19(25)23-21(22-14)27-13-20(26)24-15-8-3-5-10-17(15)28-18-11-6-4-9-16(18)24/h3-6,8-12H,2,7,13H2,1H3,(H,22,23,25)
InChIKey ALLGUJNTAHLONN-UHFFFAOYSA-N
Molecular Weight 409.522 g/mol
SMILES Oc1nc(SCC(N2c3c(cccc3)Sc3c2cccc3)=O)nc(c1)CCC
SPLASH splash10-0002-5900000000-54bab1d9fccda013fb55
Wiley ID 1461857