![Bis[(5,6,7,8,9-pentahydrocyclohepta[b]thieno[2,3-d]-pyrimidin-4-one)]-2-disulfide](/api/spectrum/D9Mlr3KKRuG/structure.png?h=300&w=458 "Bis[(5,6,7,8,9-pentahydrocyclohepta[b]thieno[2,3-d]-pyrimidin-4-one)]-2-disulfide")
| SpectraBase Compound ID | 8GtzlrWW7Gv |
|---|---|
| InChI | InChI=1S/C22H22N4O2S4/c27-17-15-11-7-3-1-5-9-13(11)29-19(15)25-21(23-17)31-32-22-24-18(28)16-12-8-4-2-6-10-14(12)30-20(16)26-22/h1-10H2,(H,23,25,27)(H,24,26,28) |
| InChIKey | YBWGUMDZWQLRKE-UHFFFAOYSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C22H22N4O2S4 |
| Exact Mass | 502.062561 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D9Mlr3KKRuG |
|---|---|
| Name | Bis[(5,6,7,8,9-pentahydrocyclohepta[b]thieno[2,3-d]-pyrimidin-4-one)]-2-disulfide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22N4O2S4 |
| InChI | InChI=1S/C22H22N4O2S4/c27-17-15-11-7-3-1-5-9-13(11)29-19(15)25-21(23-17)31-32-22-24-18(28)16-12-8-4-2-6-10-14(12)30-20(16)26-22/h1-10H2,(H,23,25,27)(H,24,26,28) |
| InChIKey | YBWGUMDZWQLRKE-UHFFFAOYSA-N |
| Molecular Weight | 502.684 g/mol |
| SMILES | N1C(c2c(N=C1SSC1=Nc3c(C(N1)=O)c1CCCCCc1s3)sc1CCCCCc21)=O |
| SPLASH | splash10-0udi-1290010000-de91d99c2961bc58729c |
| Source of Spectrum | Y-49-1015-4c |
| Synonyms | 2,2'-disulfanediylbis(6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one) 2-[(4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)disulfanyl]-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one 2-[(4-oxidanylidene-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)disulfanyl]-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one |
| Wiley ID | 1736307 |