![2-[(Methoxycarbonyl)methylthio]-5,6-(hexamethylene)-4-aminothieno[2,3-d]pyrimidine](/api/spectrum/7lgiazH9niB/structure.png?h=300&w=458 "2-[(Methoxycarbonyl)methylthio]-5,6-(hexamethylene)-4-aminothieno[2,3-d]pyrimidine")
| SpectraBase Compound ID | ANqsnlIXLsM |
|---|---|
| InChI | InChI=1S/C15H19N3O2S2/c1-20-11(19)8-21-15-17-13(16)12-9-6-4-2-3-5-7-10(9)22-14(12)18-15/h2-8H2,1H3,(H2,16,17,18) |
| InChIKey | HBTINTOGRHMGEF-UHFFFAOYSA-N |
| Mol Weight | 337.46 g/mol |
| Molecular Formula | C15H19N3O2S2 |
| Exact Mass | 337.091869 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7lgiazH9niB |
|---|---|
| Name | 2-[(Methoxycarbonyl)methylthio]-5,6-(hexamethylene)-4-aminothieno[2,3-d]pyrimidine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H19N3O2S2 |
| InChI | InChI=1S/C15H19N3O2S2/c1-20-11(19)8-21-15-17-13(16)12-9-6-4-2-3-5-7-10(9)22-14(12)18-15/h2-8H2,1H3,(H2,16,17,18) |
| InChIKey | HBTINTOGRHMGEF-UHFFFAOYSA-N |
| Molecular Weight | 337.456 g/mol |
| SMILES | Nc1c2c(nc(n1)SCC(=O)OC)sc1CCCCCCc21 |
| SPLASH | splash10-004i-0095000000-23d438a53904a9725544 |
| Source of Spectrum | Y-38-508-3 |
| Synonyms | methyl[(4-amino-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate methyl 2-[(4-amino-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[1,2-c]pyrimidin-2-yl)sulfanyl]acetate methyl 2-[(4-azanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[1,2-c]pyrimidin-2-yl)sulfanyl]ethanoate |
| Wiley ID | 848400 |