RInChI=1.00.1S/C13H16BrN5O2/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)<>C3H7NO/c1-4(2)3-5/h3H,1-2H3!C3H9ISi/c1-5(2,3)4/h1-3H3!C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3!C8H5BrClN3O/c9-4-1-6-7(10)5(8(11)14)2-12-13(6)3-4/h1-3H,(H2,11,14)!H2O/h1H2/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:21CCCCCCCCCCCCCBrNNNNNOO/rB:;;;;;s2d6;s3;s4;d2;s5s9;d8s10;s8;s7;d13;s4s5;d3;s9s12;s6s10s17;s13;s1s11;/rC:;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;!0/N:1,2,3,4,5/E:(1,2,3)/rA:5CCCISi/rB:;;;s1s2s3s4;/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:;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14/rA:14CCCCCCCCBrClNNNO/rB:;;s1d3;s2;d1;d5s6;s5;s4;s7;d8;d2;s3s6s12;s8;/rC:;;;;;;;;;;;;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-BUHFF-RSPMQAPWBIWGMS-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N-CSRZQMIRAZTJOY-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N-CPJUWOTXCPVZOC-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-RSPMQAPWBI-MOYFXSIXFA-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=IRPGGEYJDHPPAASUI-NUHFFFADPSCTJSA