basic_info |
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| Product_Name： | THEOPHYLLINE (1,3-15N2) |
| EnglishSynonyms： | THEOPHYLLINE (1,3-15N2) |
| pro_mdlNumber： | MFCD00145396 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | C[15n]1c2c(c(=O)[15n](c1=O)C)NCN2 |
| InChi： | InChI=1S/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h8-9H,3H2,1-2H3/i10+1,11+1 |
| InChiKey： | InChIKey=KVRJYSDZTBGXFZ-LCTSPGJJSA-N |
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