SpectraBase Compound ID | HnoIlcpsa0y |
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InChI | InChI=1S/C13H11ClN4OS/c14-9-1-3-10(4-2-9)19-5-6-20-13-11-12(16-7-15-11)17-8-18-13/h1-4,7-8H,5-6H2,(H,15,16,17,18) |
InChIKey | PCEOTLHZKJQCHW-UHFFFAOYSA-N |
Mol Weight | 306.77 g/mol |
Molecular Formula | C13H11ClN4OS |
Exact Mass | 306.03421 g/mol |
SpectraBase Spectrum ID | 8dJ1DkdYS0C |
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Name | 9H-Purine, 6-[[2-(4-chlorophenoxy)ethyl]thio]- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 306.034209863 u |
Formula | C13H11ClN4OS |
InChI | InChI=1S/C13H11ClN4OS/c14-9-1-3-10(4-2-9)19-5-6-20-13-11-12(16-7-15-11)17-8-18-13/h1-4,7-8H,5-6H2,(H,15,16,17,18) |
InChIKey | PCEOTLHZKJQCHW-UHFFFAOYSA-N |
SMILES | N1C=NC=2C1=NC=NC2SCCOC=1C=CC(=CC1)Cl |