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2-[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HuL7d9tyxz9
InChI InChI=1S/C27H21BrN2O2S/c28-21-14-17(25-29-26(31)24-20-10-3-4-11-23(20)33-27(24)30-25)12-13-22(21)32-15-18-8-5-7-16-6-1-2-9-19(16)18/h1-2,5-9,12-14H,3-4,10-11,15H2,(H,29,30,31)
InChIKey SAQFIHYPPWWZGY-UHFFFAOYSA-N
Mol Weight 517.44 g/mol
Molecular Formula C27H21BrN2O2S
Exact Mass 516.050712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwEmcGg9qxv
Name 2-[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Alternate Name(s) 2-[3-bromo-4-(1-naphthalenylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[3-bromo-4-(1-naphthylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one 2-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Formula C27H21BrN2O2S
InChI InChI=1S/C27H21BrN2O2S/c28-21-14-17(25-29-26(31)24-20-10-3-4-11-23(20)33-27(24)30-25)12-13-22(21)32-15-18-8-5-7-16-6-1-2-9-19(16)18/h1-2,5-9,12-14H,3-4,10-11,15H2,(H,29,30,31)
InChIKey SAQFIHYPPWWZGY-UHFFFAOYSA-N
Molecular Weight 517.441 g/mol
SMILES Oc1c2c(nc(n1)-c1cc(Br)c(cc1)OCc1c3c(cccc3)ccc1)sc1CCCCc21
SPLASH splash10-0006-0900000000-d4d189d1174b6544d465
Wiley ID 1454640