![Methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate](/api/spectrum/1JWKi9yNzEC/structure.png?h=300&w=458 "Methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate")
| SpectraBase Compound ID | 7FasmsJNpoE |
|---|---|
| InChI | InChI=1S/C13H15N7O4S/c1-17-8-9(18(2)13(23)19(3)10(8)22)16-12(17)25-11-14-6-15-20(11)5-7(21)24-4/h6H,5H2,1-4H3 |
| InChIKey | XZFCGLZEYSZYKB-UHFFFAOYSA-N |
| Mol Weight | 365.37 g/mol |
| Molecular Formula | C13H15N7O4S |
| Exact Mass | 365.090623 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1JWKi9yNzEC |
|---|---|
| Name | Methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H15N7O4S |
| InChI | InChI=1S/C13H15N7O4S/c1-17-8-9(18(2)13(23)19(3)10(8)22)16-12(17)25-11-14-6-15-20(11)5-7(21)24-4/h6H,5H2,1-4H3 |
| InChIKey | XZFCGLZEYSZYKB-UHFFFAOYSA-N |
| Molecular Weight | 365.368 g/mol |
| SMILES | c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1[n](ncn1)CC(=O)OC |
| SPLASH | splash10-014i-7947000000-266ab61f8aaa02b00d11 |
| Synonyms | 2-[5-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]-1,2,4-triazol-1-yl]acetic acid methyl ester 2-[5-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-1,2,4-triazol-1-yl]acetic acid methyl ester Methyl 2-[5-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetate Methyl 2-[5-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-1,2,4-triazol-1-yl]ethanoate [5-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-[1,2,4]triazol-1-yl]acetic acid, methyl ester |
| Wiley ID | 1441770 |