![Ethyl 2-{2-[4,6-diamino-2-thioxopyrimidin-5(2H)-ylidene]hydrazinyl}-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate](/api/spectrum/1FDuvqQ2rPK/structure.png?h=300&w=458 "Ethyl 2-{2-[4,6-diamino-2-thioxopyrimidin-5(2H)-ylidene]hydrazinyl}-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate")
| SpectraBase Compound ID | HIvjXSFfsiS |
|---|---|
| InChI | InChI=1S/C19H19N7O3S2/c1-3-29-18(28)11-9(2)13(16(27)22-10-7-5-4-6-8-10)31-17(11)26-25-12-14(20)23-19(30)24-15(12)21/h4-8,26H,3H2,1-2H3,(H,22,27)(H4,20,21,23,24,30) |
| InChIKey | XRFWJPMIFCUSSN-UHFFFAOYSA-N |
| Mol Weight | 457.53 g/mol |
| Molecular Formula | C19H19N7O3S2 |
| Exact Mass | 457.09908 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1FDuvqQ2rPK |
|---|---|
| Name | Ethyl 2-{2-[4,6-diamino-2-thioxopyrimidin-5(2H)-ylidene]hydrazinyl}-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate |
| Appearance | Red crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H19N7O3S2 |
| InChI | InChI=1S/C19H19N7O3S2/c1-3-29-18(28)11-9(2)13(16(27)22-10-7-5-4-6-8-10)31-17(11)26-25-12-14(20)23-19(30)24-15(12)21/h4-8,26H,3H2,1-2H3,(H,22,27)(H4,20,21,23,24,30) |
| InChIKey | XRFWJPMIFCUSSN-UHFFFAOYSA-N |
| Instrument Name | Finnegan MAT 212 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.2622 |
| Molecular Weight | 457.527 g/mol |
| SMILES | N(C(c1c(c(c(s1)NN=C1C(=NC(N=C1N)=S)N)C(OCC)=O)C)=O)c1ccccc1 |
| SPLASH | splash10-03yl-3492000000-db5c4a24b90b47cbd9fc |
| Source of Spectrum | Y-54-566-7 |
| Wiley ID | 1880707 |