![3-Amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one](/api/spectrum/GpkyBLXA3Wc/structure.png?h=300&w=458 "3-Amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one")
| SpectraBase Compound ID | JEwHyd3At5U |
|---|---|
| InChI | InChI=1S/C11H13N3OS/c1-6-13-10-9(11(15)14(6)12)7-4-2-3-5-8(7)16-10/h2-5,12H2,1H3 |
| InChIKey | CZRSWELKXRQSMW-UHFFFAOYSA-N |
| Mol Weight | 235.3 g/mol |
| Molecular Formula | C11H13N3OS |
| Exact Mass | 235.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpkyBLXA3Wc |
|---|---|
| Name | 3-Amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.077933224 u |
| Formula | C11H13N3OS |
| InChI | InChI=1S/C11H13N3OS/c1-6-13-10-9(11(15)14(6)12)7-4-2-3-5-8(7)16-10/h2-5,12H2,1H3 |
| InChIKey | CZRSWELKXRQSMW-UHFFFAOYSA-N |
| Molecular Weight | 235.305 g/mol |
| SMILES | CC1=NC2=C(C(N1N)=O)C1=C(CCCC1)S2 |