![6-amino-2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4(3H)-pyrimidinone](/api/spectrum/43aE4aNGLn4/structure.png?h=300&w=458 "6-amino-2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4(3H)-pyrimidinone")
| SpectraBase Compound ID | Dju0J2Edjfm |
|---|---|
| InChI | InChI=1S/C15H16N4O2S/c16-12-8-13(20)18-15(17-12)22-9-14(21)19-7-3-5-10-4-1-2-6-11(10)19/h1-2,4,6,8H,3,5,7,9H2,(H3,16,17,18,20) |
| InChIKey | PYKFOHNMRVPDDW-UHFFFAOYSA-N |
| Mol Weight | 316.38 g/mol |
| Molecular Formula | C15H16N4O2S |
| Exact Mass | 316.099397 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43aE4aNGLn4 |
|---|---|
| Name | 6-Amino-2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4(3H)-pyrimidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.099396943 u |
| Formula | C15H16N4O2S |
| InChI | InChI=1S/C15H16N4O2S/c16-12-8-13(20)18-15(17-12)22-9-14(21)19-7-3-5-10-4-1-2-6-11(10)19/h1-2,4,6,8H,3,5,7,9H2,(H3,16,17,18,20) |
| InChIKey | PYKFOHNMRVPDDW-UHFFFAOYSA-N |
| Molecular Weight | 316.379 g/mol |
| SMILES | N1C(C=C(N=C1SCC(N1C2=C(C=CC=C2)CCC1)=O)N)=O |