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4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-[[(2-fluorophenyl)methyl]thio]-3,5,6,7-tetrahydro-3-phenyl-
SpectraBase Compound ID 9C6ZguoX4eb
InChI InChI=1S/C22H17FN2OS2/c23-17-11-5-4-7-14(17)13-27-22-24-20-19(16-10-6-12-18(16)28-20)21(26)25(22)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2
InChIKey IKPVJVPIVRXZOF-UHFFFAOYSA-N
Mol Weight 408.51 g/mol
Molecular Formula C22H17FN2OS2
Exact Mass 408.076634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBDS1hug5Ac
Name 6-(2-Fluoro-benzylsulfanyl)-5-phenyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
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Formula C22H17FN2OS2
InChI InChI=1S/C22H17FN2OS2/c23-17-11-5-4-7-14(17)13-27-22-24-20-19(16-10-6-12-18(16)28-20)21(26)25(22)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2
InChIKey IKPVJVPIVRXZOF-UHFFFAOYSA-N
Molecular Weight 408.509 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)SCc2c(F)cccc2)sc2c1CCC2
SPLASH splash10-0a4r-3900000000-c2fdb847aea2cee30588
Synonyms 2-[(2-Fluorobenzyl)sulfanyl]-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one 3-[(2-fluorophenyl)methylthio]-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one 3-[(2-fluorophenyl)methylsulfanyl]-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
Wiley ID 1463604