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2-(2-bromanyl-5-oxidanyl-phenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID ASgmifeqPgu
InChI InChI=1S/C20H23BrN2O2S/c1-20(2,3)10-4-6-12-15(8-10)26-19-16(12)18(25)22-17(23-19)13-9-11(24)5-7-14(13)21/h5,7,9-10,17,23-24H,4,6,8H2,1-3H3,(H,22,25)
InChIKey CMQOLSZFFMRCEE-UHFFFAOYSA-N
Mol Weight 435.38 g/mol
Molecular Formula C20H23BrN2O2S
Exact Mass 434.066362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2X9sBc3xnGk
Name 2-(2-bromanyl-5-oxidanyl-phenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Formula C20H23BrN2O2S
InChI InChI=1S/C20H23BrN2O2S/c1-20(2,3)10-4-6-12-15(8-10)26-19-16(12)18(25)22-17(23-19)13-9-11(24)5-7-14(13)21/h5,7,9-10,17,23-24H,4,6,8H2,1-3H3,(H,22,25)
InChIKey CMQOLSZFFMRCEE-UHFFFAOYSA-N
Molecular Weight 435.380 g/mol
SMILES N1C(c2c3CCC(Cc3sc2NC1c1c(ccc(c1)O)Br)C(C)(C)C)=O
SPLASH splash10-001i-2491200000-8e7bfc4c23805c94f6df
Synonyms 2-(2-bromo-5-hydroxy-phenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one 2-(2-bromo-5-hydroxyphenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-(2-Bromo-5-hydroxyphenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Wiley ID 1464787