![o-{[3-(7,8-dihydro-4-methyl-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ureido]sulfonyl}benzoic acid, methyl ester](/api/spectrum/J3OiB7XDdm7/structure.png?h=300&w=458 "o-{[3-(7,8-dihydro-4-methyl-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ureido]sulfonyl}benzoic acid, methyl ester")
| SpectraBase Compound ID | EM3ZC96dNgz |
|---|---|
| InChI | InChI=1S/C17H18N4O5S2/c1-10-12-9-27-8-7-13(12)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-11(14)15(22)26-2/h3-6H,7-9H2,1-2H3,(H2,18,19,20,21,23) |
| InChIKey | NOIGLSQPGIPFJS-UHFFFAOYSA-N |
| Mol Weight | 422.47 g/mol |
| Molecular Formula | C17H18N4O5S2 |
| Exact Mass | 422.071862 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3OiB7XDdm7 |
|---|---|
| Name | o-{[3-(7,8-dihydro-4-methyl-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ureido]sulfonyl}benzoic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H18N4O5S2 |
| InChI | InChI=1S/C17H18N4O5S2/c1-10-12-9-27-8-7-13(12)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-11(14)15(22)26-2/h3-6H,7-9H2,1-2H3,(H2,18,19,20,21,23) |
| InChIKey | NOIGLSQPGIPFJS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56021M |
| Solvent | DMSO-d6 |