| SpectraBase Compound ID | 5HkIcQWS06b |
|---|---|
| InChI | InChI=1S/C12H14N4O2S/c1-19-7-6-14-11(17)10-15-9-5-3-2-4-8(9)12(18)16(10)13/h2-5H,6-7,13H2,1H3,(H,14,17) |
| InChIKey | OLKUQBDDZIRVGR-UHFFFAOYSA-N |
| Mol Weight | 278.33 g/mol |
| Molecular Formula | C12H14N4O2S |
| Exact Mass | 278.083747 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4C2jwyPSdbS |
|---|---|
| Name | 3-Amino-4-oxo-3,4-dihydro-quinazoline-2-carboxamide, (2-methylsulfanyl-ethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.083746879 u |
| Formula | C12H14N4O2S |
| InChI | InChI=1S/C12H14N4O2S/c1-19-7-6-14-11(17)10-15-9-5-3-2-4-8(9)12(18)16(10)13/h2-5H,6-7,13H2,1H3,(H,14,17) |
| InChIKey | OLKUQBDDZIRVGR-UHFFFAOYSA-N |
| SMILES | C=1(N(C(=O)C2=C(C=CC=C2)N1)N)C(=O)NCCSC |