basic_info |
|
| Product_Name： | 7-BENZYLTHEOPHYLLINE |
| CAS： | 1807-85-8 |
| EnglishSynonyms： | 7-BENZYL-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE ; 7-BENZYLTHEOPHYLLINE |
| pro_mdlNumber： | MFCD00685506 |
| pro_acceptors： | 6 |
| pro_donors： | 0 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)n(cn2)Cc3ccccc3 |
| InChi： | InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChiKey： | InChIKey=WXWQVDBZDNPNLZ-UHFFFAOYSA-N |
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