basic_info |
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| Product_Name： | 7-(3-NICOTINAMIDOPROPYL)THEOPHYLLINE |
| CAS： | 70454-27-2 |
| EnglishSynonyms： | 7-(3-NICOTINAMIDOPROPYL)THEOPHYLLINE |
| pro_mdlNumber： | MFCD01682214 |
| pro_acceptors： | 9 |
| pro_donors： | 1 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNC(=O)c3cccnc3 |
| InChi： | InChI=1S/C16H18N6O3/c1-20-13-12(15(24)21(2)16(20)25)22(10-19-13)8-4-7-18-14(23)11-5-3-6-17-9-11/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,23) |
| InChiKey： | InChIKey=VPNIXCPSFPGQQX-UHFFFAOYSA-N |
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