basic_info |
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| Product_Name: | 7-ACETYL-6-[4-(ALLYLOXY)-3-BROMO-5-ETHOXYPHENYL]-3-(BUTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE |
| EnglishSynonyms: | 7-ACETYL-6-[4-(ALLYLOXY)-3-BROMO-5-ETHOXYPHENYL]-3-(BUTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE |
| pro_mdlNumber: | MFCD02182606 |
| pro_acceptors: | 8 |
| pro_donors: | 0 |
| pro_smile: | CCCCSc1nc2c(nn1)-c3ccccc3N(C(O2)c4cc(c(c(c4)Br)OCC=C)OCC)C(=O)C |
| InChi: | InChI=1S/C27H29BrN4O4S/c1-5-8-14-37-27-29-25-23(30-31-27)19-11-9-10-12-21(19)32(17(4)33)26(36-25)18-15-20(28)24(35-13-6-2)22(16-18)34-7-3/h6,9-12,15-16,26H,2,5,7-8,13-14H2,1,3-4H3 |
| InChiKey: | InChIKey=HTSDKVRXUFGLLD-UHFFFAOYSA-N |
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