![2-Methyl-4-isopentylamino-5,6-tetramethylenopyrimidino[4,5-B]thiophene](/api/spectrum/8h7ANEc9z5x/structure.png?h=300&w=458 "2-Methyl-4-isopentylamino-5,6-tetramethylenopyrimidino[4,5-B]thiophene")
| SpectraBase Compound ID | E7BksXd5R3U |
|---|---|
| InChI | InChI=1S/C16H23N3S/c1-10(2)8-9-17-15-14-12-6-4-5-7-13(12)20-16(14)19-11(3)18-15/h10H,4-9H2,1-3H3,(H,17,18,19) |
| InChIKey | IQGDSFNMBMBVJA-UHFFFAOYSA-N |
| Mol Weight | 289.44 g/mol |
| Molecular Formula | C16H23N3S |
| Exact Mass | 289.161269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8h7ANEc9z5x |
|---|---|
| Name | 2-Methyl-4-isopentylamino-5,6-tetramethylenopyrimidino[4,5-B]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.161268927 u |
| Formula | C16H23N3S |
| InChI | InChI=1S/C16H23N3S/c1-10(2)8-9-17-15-14-12-6-4-5-7-13(12)20-16(14)19-11(3)18-15/h10H,4-9H2,1-3H3,(H,17,18,19) |
| InChIKey | IQGDSFNMBMBVJA-UHFFFAOYSA-N |
| SMILES | N(c1c2c(SC3=C2CCCC3)nc(n1)C)CCC(C)C |