RInChI=1.00.1S/C11H12BrN5O/c1-7-14-10(11(18)15-13)16-17(7)6-8-3-2-4-9(12)5-8/h2-5H,6,13H2,1H3,(H,15,18)!C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)<>C22H22BrN5O/c1-14-24-19(27-28(14)13-15-6-5-7-18(23)12-15)21-26-25-20(29-21)16-8-10-17(11-9-16)22(2,3)4/h5-12H,13H2,1-4H3<>Cl3OP/c1-5(2,3)4/d+

RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/rA:18CCCCCCCCCCCBrNNNNNO/rB:;d2;s2;;;s1;s3d5s6;d4s5;;s10;s9;;d7s10;s11s13;d10;s6s7s16;d11;/rC:;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11,12,13/E:(1,2,3)(4,5)(6,7)(12,13)/rA:13CCCCCCCCCCCOO/rB:;;;;s4;d5;d4s5;d6s7;s8;s1s2s3s9;s10;d10;/rC:;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29/E:(2,3,4)(8,9)(10,11)/rA:29CCCCCCCCCCCCCCCCCCCCCCBrNNNNNO/rB:;;;;d5;s5;;;s8;d9;;;s1;s6d12s13;d8s9;d10s11;d7s12;;s16;s19;s2s3s4s17;s18;d14s19;d20;d21s25;d19;s13s14s27;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2,3)/rA:5ClClClOP/rB:;;;s1s2s3d4;/rC:;;;;;

Long-RInChIKey=SA-FUHFF-QGCLOVAMISNEOO-UHFFFAOYSA-N-KDVYCTOWXSLNNI-UHFFFAOYSA-N--RKODTDCAPSEGPU-UHFFFAOYSA-N--XHXFXVLFKHQFAL-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-MNFXPSSVJR-RKODTDCAPS-XHXFXVLFKH-NUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=SEOVFTKAQIGBMTHJZ-NUHFFFADPSCTJSA