![3-[(3-pyridyl)methyl]-2-thio-2,4(1H,3H)-quinazolinedione](/api/spectrum/HBTKM7Kw08G/structure.png?h=300&w=458 "3-[(3-pyridyl)methyl]-2-thio-2,4(1H,3H)-quinazolinedione")
| SpectraBase Compound ID | JWD6uAoJkfa |
|---|---|
| InChI | InChI=1S/C14H11N3OS/c18-13-11-5-1-2-6-12(11)16-14(19)17(13)9-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,19) |
| InChIKey | PZLVJPPOFNKHFH-UHFFFAOYSA-N |
| Mol Weight | 269.32 g/mol |
| Molecular Formula | C14H11N3OS |
| Exact Mass | 269.062283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBTKM7Kw08G |
|---|---|
| Name | 3-[(3-Pyridyl)methyl]-2-thio-2,4(1H,3H)-quinazolinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.062283159 u |
| Formula | C14H11N3OS |
| InChI | InChI=1S/C14H11N3OS/c18-13-11-5-1-2-6-12(11)16-14(19)17(13)9-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,19) |
| InChIKey | PZLVJPPOFNKHFH-UHFFFAOYSA-N |
| Molecular Weight | 269.322 g/mol |
| SMILES | N1C=2C=CC=CC2C(N(C1=S)CC=1C=NC=CC1)=O |