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)<>C21H22BrN5O4/c1-30-18-11-26(21(29)31-12-13-5-3-2-4-6-13)10-16(18)25-19-15(20(23)28)8-24-27-9-14(22)7-17(19)27/h2-9,16,18,25H,10-12H2,1H3,(H2,23,28)!C3H9ISi/c1-5(2,3)4/h1-3H3<>C2H3N/c1-2-3/h1H3/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:;;;;;;;;;;;;;;;;;;;;;<>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/E:(3,4)(5,6)/rA:31CCCCCCCCCCCCCCCCCCCCCBrNNNNNOOOO/rB:;d2;s2;s3;d4;;;;;;;d5s6s12;s7d9;s8;s10;d7;s11s16;d15s17;s15;;s14;d20;d8;s16s19;s10s11s21;s9s17s24;s20;d21;s1s18;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5/E:(1,2,3)/rA:5CCCISi/rB:;;;s1s2s3s4;/rC:;;;;;<>0/N:1,2,3/rA:3CCN/rB:s1;t2;/rC:;;;
Long-RInChIKey=SA-BUHFF-RSPMQAPWBIWGMS-UHFFFAOYSA-N--YJMLVLSJSALDSQ-UHFFFAOYSA-N-CSRZQMIRAZTJOY-UHFFFAOYSA-N--WEVYAHXRMPXWCK-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-RSPMQAPWBI-NAIZSZVKWQ-WEVYAHXRMP-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=WOWLJNPQZUXTJVLXM-NUHFFFADPSCTJSA