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Bis[(2-methoxy-3,4,5,6,7,8-hexahydro-4-oxo-[1]benzothieno[2,3-d]pyrimidin-3-yl)ethyl] disulfide
SpectraBase Compound ID BSxRYxNBoNt
InChI InChI=1S/C26H30N4O4S4/c1-33-25-27-21-19(15-7-3-5-9-17(15)37-21)23(31)29(25)11-13-35-36-14-12-30-24(32)20-16-8-4-6-10-18(16)38-22(20)28-26(30)34-2/h3-14H2,1-2H3
InChIKey LLJJJGBRCABSRW-UHFFFAOYSA-N
Mol Weight 590.8 g/mol
Molecular Formula C26H30N4O4S4
Exact Mass 590.11499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHzuouF9BeH
Name Bis[(2-methoxy-3,4,5,6,7,8-hexahydro-4-oxo-[1]benzothieno[2,3-d]pyrimidin-3-yl)ethyl] disulfide
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Formula C26H30N4O4S4
InChI InChI=1S/C26H30N4O4S4/c1-33-25-27-21-19(15-7-3-5-9-17(15)37-21)23(31)29(25)11-13-35-36-14-12-30-24(32)20-16-8-4-6-10-18(16)38-22(20)28-26(30)34-2/h3-14H2,1-2H3
InChIKey LLJJJGBRCABSRW-UHFFFAOYSA-N
Molecular Weight 590.790 g/mol
SMILES c12c(N=C(N(C2=O)CCSSCCN2C(c3c4c(CCCC4)sc3N=C2OC)=O)OC)sc2c1CCCC2
SPLASH splash10-03di-0090000000-99d18787c34994240e0f
Source of Spectrum SO-0-1489-4
Synonyms 2-Methoxy-3-(2-{[2-(2-methoxy-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)ethyl]disulfanyl}ethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Wiley ID 1545985