![Toluene-4-sulfonic acid 2-[3-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-thioureido]-phenyl ester](/api/spectrum/72PpgI7fChe/structure.png?h=300&w=458 "Toluene-4-sulfonic acid 2-[3-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-thioureido]-phenyl ester")
| SpectraBase Compound ID | 67qIHhyGIRJ |
|---|---|
| InChI | InChI=1S/C18H18N6O4S2/c1-10-6-8-11(9-7-10)30(26,27)28-13-5-3-2-4-12(13)21-18(29)22-14-15(19)23-17(20)24-16(14)25/h2-9H,1H3,(H2,21,22,29)(H5,19,20,23,24,25) |
| InChIKey | XOBJYUCPOIFACZ-UHFFFAOYSA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C18H18N6O4S2 |
| Exact Mass | 446.083095 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 72PpgI7fChe |
|---|---|
| Name | Toluene-4-sulfonic acid 2-[3-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-thioureido]-phenyl ester |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H18N6O4S2 |
| InChI | InChI=1S/C18H18N6O4S2/c1-10-6-8-11(9-7-10)30(26,27)28-13-5-3-2-4-12(13)21-18(29)22-14-15(19)23-17(20)24-16(14)25/h2-9H,1H3,(H2,21,22,29)(H5,19,20,23,24,25) |
| InChIKey | XOBJYUCPOIFACZ-UHFFFAOYSA-N |
| Instrument Name | Bruker WM-250 |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |