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CAS 1548618-47-8

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Formula:C21H21BrN6O4
InChI:InChI=1S/C21H20N6O4.BrH/c1-4-9-21(19(29)31-3,13-7-5-12(6-8-13)18(28)30-2)10-14-11-24-17-15(25-14)16(22)26-20(23)27-17;/h1,5-8,11H,9-10H2,2-3H3,(H4,22,23,24,26,27);1H
InChI key:UMJBJTHBHPNPAX-UHFFFAOYSA-N
SMILES:COC(=O)C1=CC=C(C=C1)C(CC#C)(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)OC.Br
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