![1H-Purine-2,6-dione, 8-[(2-furanylmethyl)amino]-3,9-dihydro-1,3-dimethyl-](/api/spectrum/41ORv5fXweR/structure.png?h=300&w=458 "1H-Purine-2,6-dione, 8-[(2-furanylmethyl)amino]-3,9-dihydro-1,3-dimethyl-")
| SpectraBase Compound ID | Bvq4raRRYZc |
|---|---|
| InChI | InChI=1S/C12H13N5O3/c1-16-9-8(10(18)17(2)12(16)19)14-11(15-9)13-6-7-4-3-5-20-7/h3-5H,6H2,1-2H3,(H2,13,14,15) |
| InChIKey | BAQQTRPUKDTFPY-UHFFFAOYSA-N |
| Mol Weight | 275.27 g/mol |
| Molecular Formula | C12H13N5O3 |
| Exact Mass | 275.101839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41ORv5fXweR |
|---|---|
| Name | 1H-Purine-2,6-dione, 8-[(2-furanylmethyl)amino]-3,9-dihydro-1,3-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.101839296 u |
| Formula | C12H13N5O3 |
| InChI | InChI=1S/C12H13N5O3/c1-16-9-8(10(18)17(2)12(16)19)14-11(15-9)13-6-7-4-3-5-20-7/h3-5H,6H2,1-2H3,(H2,13,14,15) |
| InChIKey | BAQQTRPUKDTFPY-UHFFFAOYSA-N |
| SMILES | C12=C(C(=O)N(C(N2C)=O)C)N=C(N1)NCC1=CC=CO1 |