![2-Methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[1,2-C]pyrimidin-1-one](/api/spectrum/DF2r3NhREDT/structure.png?h=300&w=458 "2-Methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[1,2-C]pyrimidin-1-one")
| SpectraBase Compound ID | 8NrU4wPGaVu |
|---|---|
| InChI | InChI=1S/C13H12N4OS/c1-16-7-5-11-9(4-8-17(11)13(16)18)10-3-6-14-12(15-10)19-2/h3-8H,1-2H3 |
| InChIKey | WGKUEEGKUSGGKA-UHFFFAOYSA-N |
| Mol Weight | 272.33 g/mol |
| Molecular Formula | C13H12N4OS |
| Exact Mass | 272.073182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DF2r3NhREDT |
|---|---|
| Name | 2-Methyl-5-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[1,2-C]pyrimidin-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.073182195 u |
| Formula | C13H12N4OS |
| InChI | InChI=1S/C13H12N4OS/c1-16-7-5-11-9(4-8-17(11)13(16)18)10-3-6-14-12(15-10)19-2/h3-8H,1-2H3 |
| InChIKey | WGKUEEGKUSGGKA-UHFFFAOYSA-N |
| SMILES | C1(N2C(C=CN1C)=C(C=C2)C1=NC(=NC=C1)SC)=O |