![N-(3-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine](/api/spectrum/4Hja8Dcuxjs/structure.png?h=300&w=458 "N-(3-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine")
| SpectraBase Compound ID | BWmmOcj1rUZ |
|---|---|
| InChI | InChI=1S/C16H14ClN3S/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H,18,19,20) |
| InChIKey | YDUKMCXMOCKPQZ-UHFFFAOYSA-N |
| Mol Weight | 315.82 g/mol |
| Molecular Formula | C16H14ClN3S |
| Exact Mass | 315.059696 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Hja8Dcuxjs |
|---|---|
| Name | N-(3-Chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.059696337 u |
| Formula | C16H14ClN3S |
| InChI | InChI=1S/C16H14ClN3S/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H,18,19,20) |
| InChIKey | YDUKMCXMOCKPQZ-UHFFFAOYSA-N |
| SMILES | N(C=1C2=C(SC3=C2CCCC3)N=CN1)C=1C=C(Cl)C=CC1 |