RInChI=1.00.1S/C18H19BrN6O2/c1-10-6-24(17(27)18(9-20)2-3-18)8-13(10)23-15-12(16(21)26)5-22-25-7-11(19)4-14(15)25/h4-5,7,10,13,23H,2-3,6,8H2,1H3,(H2,21,26)!C6H7NO2/c7-3-5(6(8)9)4-1-2-4/h4-5H,1-2H2,(H,8,9)!C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C22H24N8O2/c1-13-6-25-29(8-13)15-5-18-19(16(20(24)31)7-26-30(18)10-15)27-17-11-28(9-14(17)2)21(32)22(12-23)3-4-22/h5-8,10,14,17,27H,3-4,9,11H2,1-2H3,(H2,24,31)<>C4H8O2/c1-2-6-4-3-5-1/h1-4H2!Cu.2HI/h;2*1H/q+2;;/p-2/d+
RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27/E:(2,3)/rA:27CCCCCCCCCCCCCCCCCCBrNNNNNNOO/rB:;s2;;;;;;;s1s6;s4d7;s5;s8s10;d4;d12s14;s12;;s2s3s9s17;s11;t9;d16;d5;s13s15;s6s8s17;s7s14s22;s16;d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9/E:(1,2)(8,9)/rA:9CCCCCCNOO/rB:s1;;s1s2;s3s4;s5;t3;d6;s6;/rC:;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:10CCCCCCCCNN/rB:;;s3;s3;s4;s5;s6s7;s1s7;s2s8;/rC:;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;s1;;;/rC:;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32/E:(3,4)/rA:32CCCCCCCCCCCCCCCCCCCCCCNNNNNNNNOO/rB:;;s3;;;;;;;;;s1s6d8;s2s9;s5d10;s7;s11s14;d5;d16s18;s16;;s3s4s12s21;t12;d20;d6;d7;s17s19;s9s11s21;s8s15s25;s10s18s26;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;!1/N:1;2;3/rA:3Cu+2I-I-/rB:;;/rC:;;;
Long-RInChIKey=SA-FUHFF-ZVHHPEDMLGRKBA-UHFFFAOYSA-N-KWQUZOFZLMKCNC-UHFFFAOYSA-N-JRHPOFJADXHYBR-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--CCODPDXTFDBEHO-UHFFFAOYSA-N--RYHBNJHYFVUHQT-UHFFFAOYSA-N-GBRBMTNGQBKBQE-UHFFFAOYSA-L
Short-RInChIKey=SA-FUHFF-DJPBVWICQP-CCODPDXTFD-BZWPPRXCUA-LUHFF-NUHFF-LUHFF-ZZZ
Web-RInChIKey=GVPBQWYHOWYIAQSEY-JUHFFFADPSCTJSA