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Basic information
GHS | |
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Exact Mass | 450.12665 |
Smiles | C(N1CC[C@@H](N2N=CC(C3C=C(C(=NC=3)[C@H](C)OC)Br)=C2)C1)(=O)OC(C)(C)C |
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Canonical Smiles | C[C@H](OC)C1=NC=C(C=C1Br)C1C=NN(C=1)[C@H]1CN(CC1)C(=O)OC(C)(C)C |
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Physicochemical Propertie | |
Inchi | InChI=1S/C20H27BrN4O3/c1-13(27-5)18-17(21)8-14(9-22-18)15-10-23-25(11-15)16-6-7-24(12-16)19(26)28-20(2,3)4/h8-11,13,16H,6-7,12H2,1-5H3/t13-,16+/m0/s1 |
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Feature | |
Useage | |
InchiKey | QTOANEYEDOTAOF-XJKSGUPXSA-N |
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Security information
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