RInChI=1.00.1S/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!C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3!CH3ClO2S/c1-5(2,3)4/h1H3<>C14H18BrN5O4S/c1-24-12-7-19(25(2,22)23)6-10(12)18-13-9(14(16)21)4-17-20-5-8(15)3-11(13)20/h3-5,10,12,18H,6-7H2,1-2H3,(H2,16,21)<>CH2Cl2/c2-1-3/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;22/rA:22CCCCCCCCCCCCCBrNNNNNOOI/rB:;;;;;s2d6;s3;s4;d2;s5s9;d8s10;s8;s7;d13;s4s5;d3;s9s12;s6s10s17;s13;s1s11;;/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:1,2,3,4,5/E:(3,4)/CRV:5.6/rA:5CClOOS/rB:;;;s1s2d3d4;/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/E:(22,23)/CRV:25.6/rA:25CCCCCCCCCCCCCCBrNNNNNOOOOS/rB:;;;;;;s3d5;s4;s6;d3;s7s10;d9s11;s9;s8;d14;d4;s10s13;s6s7;s5s11s17;s14;;;s1s12;s2s19d22d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;

Long-RInChIKey=SA-FUHFF-XDBZRUSTDRSQAN-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N-QARBMVPHQWIHKH-UHFFFAOYSA-N--CJGLWURQRWOZIX-UHFFFAOYSA-N--YMWUJEATGCHHMB-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-PWNVYZXGMU-CJGLWURQRW-YMWUJEATGC-NUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=ZCUJKYBBWPFIQEDMZ-NUHFFFADPSCTJSA