RInChI=1.00.1S/C13H16BrN5O.HI/c1-7-3-16-5-10(7)18-12-9(13(15)20)4-17-19-6-8(14)2-11(12)19;/h2,4,6-7,10,16,18H,3,5H2,1H3,(H2,15,20);1H!C6H3BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!H2O/h1H2<>C19H18BrN7O/c1-11-8-26(17-3-2-12(5-21)6-23-17)10-15(11)25-18-14(19(22)28)7-24-27-9-13(20)4-16(18)27/h2-4,6-7,9,11,15,25H,8,10H2,1H3,(H2,22,28)<>C3H7NO/c1-4(2)3-5/h3H,1-2H3/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/rA:21CCCCCCCCCCCCCBrNNNNNOI/rB:;;;;;s1s3;s2d6;s4;s5s7;d2;d9s11;s9;s8;d13;s3s5;d4;s10s12;s6s11s17;s13;;/rC:;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/rA:9CCCCCCBrNN/rB:s1;;;d1s3s4;d2;s6;t3;d4s6;/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/rA:1O/rB:/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/rA:28CCCCCCCCCCCCCCCCCCCBrNNNNNNNO/rB:;s2;;;;;;;;s1s8;d2s5s6;s4d9;s7;s10s11;d4;d3;d14s16;s14;s13;t5;d19;d6s17;d7;s15s18;s8s10s17;s9s16s24;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-IXLLQBBVOGSZJV-UHFFFAOYSA-N-XHYGUDGTUJPSNX-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L-XLYOFNOQVPJJNP-UHFFFAOYSA-N--FMRCGYQCDNQUKE-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-FUOUKCNPPI-FMRCGYQCDN-ZMXDDKWLCZ-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=UZICKFVJUKBITQOUJ-LUHFFFADPSCTJSA