![Toluene-4-sulfonic acid 2-[3-(4,6-diamino-pyrimidin-5-yl)-thioureido]-phenyl ester](/api/spectrum/15P93BF4CS8/structure.png?h=300&w=458 "Toluene-4-sulfonic acid 2-[3-(4,6-diamino-pyrimidin-5-yl)-thioureido]-phenyl ester")
| SpectraBase Compound ID | 17AiyGkj1Vt |
|---|---|
| InChI | InChI=1S/C18H18N6O3S2/c1-11-6-8-12(9-7-11)29(25,26)27-14-5-3-2-4-13(14)23-18(28)24-15-16(19)21-10-22-17(15)20/h2-10H,1H3,(H2,23,24,28)(H4,19,20,21,22) |
| InChIKey | YXYWZBJKEAMUMO-UHFFFAOYSA-N |
| Mol Weight | 430.5 g/mol |
| Molecular Formula | C18H18N6O3S2 |
| Exact Mass | 430.088181 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 15P93BF4CS8 |
|---|---|
| Name | Toluene-4-sulfonic acid 2-[3-(4,6-diamino-pyrimidin-5-yl)-thioureido]-phenyl ester |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H18N6O3S2 |
| InChI | InChI=1S/C18H18N6O3S2/c1-11-6-8-12(9-7-11)29(25,26)27-14-5-3-2-4-13(14)23-18(28)24-15-16(19)21-10-22-17(15)20/h2-10H,1H3,(H2,23,24,28)(H4,19,20,21,22) |
| InChIKey | YXYWZBJKEAMUMO-UHFFFAOYSA-N |
| Instrument Name | Bruker WM-250 |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |