![5-ethoxycarbonylmethylthio-7-amino-4H-[1,2,4]triazolo[2,3-c]pyrimidine](/api/spectrum/IaU8MoGnVzl/structure.png?h=300&w=458 "5-ethoxycarbonylmethylthio-7-amino-4H-[1,2,4]triazolo[2,3-c]pyrimidine")
| SpectraBase Compound ID | 4i9AypJCBNY |
|---|---|
| InChI | InChI=1S/C9H11N5O2S/c1-2-16-8(15)4-17-9-13-6(10)3-7-11-5-12-14(7)9/h3,5H,2,4,10H2,1H3 |
| InChIKey | MLSQQOIXPMVPAA-UHFFFAOYSA-N |
| Mol Weight | 253.28 g/mol |
| Molecular Formula | C9H11N5O2S |
| Exact Mass | 253.063346 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IaU8MoGnVzl |
|---|---|
| Name | Ethyl [(7-amino[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate |
| CAS Registry Number | 143212-80-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H11N5O2S |
| InChI | InChI=1S/C9H11N5O2S/c1-2-16-8(15)4-17-9-13-6(10)3-7-11-5-12-14(7)9/h3,5H,2,4,10H2,1H3 |
| InChIKey | MLSQQOIXPMVPAA-UHFFFAOYSA-N |
| Molecular Weight | 253.280 g/mol |
| SMILES | NC1=Cc2[n](C(=N1)SCC(=O)OCC)ncn2 |
| SPLASH | splash10-0kai-6920000000-180bd141315564fc147f |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 1,2,4-Triazolo[2,3-c]pyrimidine-4-thioacetic acid, 6-amino-, ethyl ester 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)thio]acetic acid ethyl ester Acetic acid, [[7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl]thio]-, ethyl ester Ethyl ((7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)acetate Ethyl (7-amino-S-triazolo(1,5-c)pyrimidyl-5)thioacetate Ethyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate Ethyl 2-[(7-azanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]ethanoate BRN 5822097 |
| Wiley ID | 1421798 |