RInChI=1.00.1S/C17H17BrClN3/c1-11(2)10-22-15-8-7-14(16(18)17(15)20-21-22)13-5-3-12(9-19)4-6-13/h3-8,11H,9-10H2,1-2H3!C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C21H22BrN5O2/c1-13(2)10-27-17-9-8-16(19(22)20(17)23-24-27)15-6-4-14(5-7-15)11-26-12-18(28)25(3)21(26)29/h4-9,13H,10-12H2,1-3H3<>C2H3N/c1-2-3/h1H3!CH2Cl2/c2-1-3/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22/E:(1,2)(3,4)(5,6)/rA:22CCCCCCCCCCCCCCCCCBrClNNN/rB:;;;s3;d4;;d7;;;s1s2s10;d3s4s9;d5s6;s7s13;s8;d14;d15s16;s16;s9;s17;d20;s10s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8/rA:8CCCCNNOO/rB:;s2;;s2d4;s1s3s4;d3;s4;/rC:;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;s1;;;/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:(1,2)(4,5)(6,7)/rA:29CCCCCCCCCCCCCCCCCCCCCBrNNNNNOO/rB:;;;;s4;d5;;d8;;;;s1s2s10;d4s5s11;d6s7;s8s15;s9;s12;d16;d17s19;;s19;s20;d23;s3s18s21;s11s12s21;s10s17s24;d18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/rA:3CCN/rB:s1;t2;/rC:;;;!0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;
Long-RInChIKey=SA-FUHFF-DWUYHQBZRDIFON-UHFFFAOYSA-N-MZQQHYDUINOMDG-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--IESPCKINISUZIP-UHFFFAOYSA-N--WEVYAHXRMPXWCK-UHFFFAOYSA-N-YMWUJEATGCHHMB-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-ZFHIOTUOUW-IESPCKINIS-MFBJRZOUON-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=RUFKTJHTKDODOZDOJ-LUHFFFADPSCTJSA