| SpectraBase Compound ID | 4q5KdQN3DE8 |
|---|---|
| InChI | InChI=1S/C17H18N4S/c1-20-8-10-21(11-9-20)17-13-5-2-3-6-14(13)18-16(19-17)15-7-4-12-22-15/h2-7,12H,8-11H2,1H3 |
| InChIKey | KYZWFXSCKYQHNK-UHFFFAOYSA-N |
| Mol Weight | 310.42 g/mol |
| Molecular Formula | C17H18N4S |
| Exact Mass | 310.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lznJWW5j9g |
|---|---|
| Name | 4-(4-Methyl-1-piperazinyl)-2-thiophen-2-ylquinazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.125217770 u |
| Formula | C17H18N4S |
| InChI | InChI=1S/C17H18N4S/c1-20-8-10-21(11-9-20)17-13-5-2-3-6-14(13)18-16(19-17)15-7-4-12-22-15/h2-7,12H,8-11H2,1H3 |
| InChIKey | KYZWFXSCKYQHNK-UHFFFAOYSA-N |
| Molecular Weight | 310.419 g/mol |
| SMILES | C=1(N=C(N=C2C=CC=CC12)C=1SC=CC1)N1CCN(CC1)C |