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3-(2'-Mercaptopropyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 4AH5D9Rykl2
InChI InChI=1S/C12H14N2O2S2/c1-6(17)5-14-11(15)9-7-3-2-4-8(7)18-10(9)13-12(14)16/h6,17H,2-5H2,1H3,(H,13,16)
InChIKey DFVVOTBSSURHLY-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C12H14N2O2S2
Exact Mass 282.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yY0hiJI5Mo
Name 3-(2'-Mercaptopropyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Alternate Name(s) 3-(2-Sulfanylpropyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione 2-(2-mercaptopropyl)-4,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidine-1,3-dione 2-(2-Sulfanylpropyl)-4,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidine-1,3-dione
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Formula C12H14N2O2S2
InChI InChI=1S/C12H14N2O2S2/c1-6(17)5-14-11(15)9-7-3-2-4-8(7)18-10(9)13-12(14)16/h6,17H,2-5H2,1H3,(H,13,16)
InChIKey DFVVOTBSSURHLY-UHFFFAOYSA-N
Molecular Weight 282.376 g/mol
SMILES N1C(N(CC(S)C)C(c2c1sc1c2CCC1)=O)=O
SPLASH splash10-066u-0930000000-131a92795d44cc88e09c
Source of Spectrum D8-328-232-3
Wiley ID 1515756