RInChI=0.03.1S/C13H16BrN5O2.HI/c1-21-11-5-16-4-9(11)18-12-8(13(15)20)3-17-19-6-7(14)2-10(12)19;/h2-3,6,9,11,16,18H,4-5H2,1H3,(H2,15,20);1H!C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)!C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3!H2O/h1H2<>C18H19BrN6O3/c1-28-14-8-24(17(27)18(9-20)2-3-18)7-12(14)23-15-11(16(21)26)5-22-25-6-10(19)4-13(15)25/h4-6,12,14,23H,2-3,7-8H2,1H3,(H2,21,26)<>C3H7NO/c1-4(2)3-5/h3H,1-2H3/d+

RAuxInfo=0.03.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21;22/rA:22CCCCCCCCCCCCCBrNNNNNOOI/rB:;;;;;s2d6;s3;s4;d2;s5s9;d8s10;s8;s7;d13;s4s5;d3;s9s12;s6s10s17;s13;s1s11;;/rC:;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8/E:(1,2)(7,8)/rA:8CCCCCNOO/rB:s1;;;s1s2s3s4;t3;d4;s4;/rC:;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3,4,5)(7,8)/rA:9CCCCCCCCN/rB:;;;;s1;s2s3;s4s5;s6s7s8;/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/E:(2,3)/rA:28CCCCCCCCCCCCCCCCCCBrNNNNNNOOO/rB:;s2;;;;;;;s4d6;s5;s7;d4;s8s12;d11s13;s11;;s2s3s9s17;s10;t9;d16;d5;s12s15;s7s8s17;s6s13s22;s16;d17;s1s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;

Long-RInChIKey=SA-FUHFF-XDBZRUSTDRSQAN-UHFFFAOYSA-N-KSJJMSKNZVXAND-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N--ZUTXMJQGWGDHNN-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-MPICKBJZXI-ZUTXMJQGWG-ZMXDDKWLCZ-NUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=KQUXFPDSIXQZFVZPK-NUHFFFADPSCTJSA