![N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-1-adamantanecarboxamide](/api/spectrum/4ei3sGMfc0M/structure.png?h=300&w=458 "N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-1-adamantanecarboxamide")
| SpectraBase Compound ID | 6iLLDglEybi |
|---|---|
| InChI | InChI=1S/C22H26N4O3S/c1-14-6-7-23-21(24-14)26-30(28,29)19-4-2-18(3-5-19)25-20(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h2-7,15-17H,8-13H2,1H3,(H,25,27)(H,23,24,26)/t15-,16+,17-,22- |
| InChIKey | ZTYRTERFXYSEDL-OMOYSXNNSA-N |
| Mol Weight | 426.54 g/mol |
| Molecular Formula | C22H26N4O3S |
| Exact Mass | 426.172562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ei3sGMfc0M |
|---|---|
| Name | N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-1-adamantanecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.172561884 u |
| Formula | C22H26N4O3S |
| InChI | InChI=1S/C22H26N4O3S/c1-14-6-7-23-21(24-14)26-30(28,29)19-4-2-18(3-5-19)25-20(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h2-7,15-17H,8-13H2,1H3,(H,25,27)(H,23,24,26)/t15-,16+,17-,22- |
| InChIKey | ZTYRTERFXYSEDL-OMOYSXNNSA-N |
| Molecular Weight | 426.535 g/mol |
| SMILES | N(S(C=1C=CC(NC(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)=CC1)(=O)=O)C=1N=C(C)C=CN1 |