basic_info |
|
| Product_Name： | AC9-25 |
| CAS： | 284040-76-2 |
| EnglishSynonyms： | AC9-25 |
| pro_mdlNumber： | MFCD01692079 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | CC(C)C1(C(=O)NC(=N1)c2c(cccn2)C(=O)O)C.CC(C)N |
| InChi： | InChI=1S/C13H15N3O3.C3H9N/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;1-3(2)4/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,4H2,1-2H3 |
| InChiKey： | InChIKey=KCTKQZUYHSKJLP-UHFFFAOYSA-N |
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