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N-(4-ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 4Bs66R3xxkE
InChI InChI=1S/C25H23N3O2S2/c1-2-16-11-13-17(14-12-16)26-21(29)15-31-25-27-23-22(19-9-6-10-20(19)32-23)24(30)28(25)18-7-4-3-5-8-18/h3-5,7-8,11-14H,2,6,9-10,15H2,1H3,(H,26,29)
InChIKey SWSJAHTVSVRICI-UHFFFAOYSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H23N3O2S2
Exact Mass 461.123169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsXqgCTWJAp
Name N-(4-ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Alternate Name(s) N-(4-ethylphenyl)-2-[(1-oxo-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]acetamide N-(4-ethylphenyl)-2-[(1-oxo-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]acetamide N-(4-ethylphenyl)-2-[(1-oxidanylidene-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]ethanamide
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Formula C25H23N3O2S2
InChI InChI=1S/C25H23N3O2S2/c1-2-16-11-13-17(14-12-16)26-21(29)15-31-25-27-23-22(19-9-6-10-20(19)32-23)24(30)28(25)18-7-4-3-5-8-18/h3-5,7-8,11-14H,2,6,9-10,15H2,1H3,(H,26,29)
InChIKey SWSJAHTVSVRICI-UHFFFAOYSA-N
Molecular Weight 461.598 g/mol
SMILES N(C(CSC=1N(C(c2c(N1)sc1c2CCC1)=O)c1ccccc1)=O)c1ccc(cc1)CC
SPLASH splash10-0006-6914000000-30b7a996acc569c4ccac
Wiley ID 1461073