RInChI=1.00.1S/C21H20BrN5O2/c1-25-18(28)12-26(21(25)29)10-13-4-6-15(7-5-13)16-8-9-17-20(19(16)22)23-24-27(17)11-14-2-3-14/h4-9,14H,2-3,10-12H2,1H3!H2/h1H<>C21H21N5O2/c1-24-20(27)13-25(21(24)28)11-14-4-6-16(7-5-14)17-8-9-19-18(10-17)22-23-26(19)12-15-2-3-15/h4-10,15H,2-3,11-13H2,1H3<>CH4O/c1-2/h2H,1H3!Pd/d+
RAuxInfo=1.00.1/0/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/E:(2,3)(4,5)(6,7)/rA:29CCCCCCCCCCCCCCCCCCCCCBrNNNNNOO/rB:;s2;;;s4;d5;;d8;;;;d4s5s10;s2s3s11;d6s7;s8s15;s9;s12;d16;d17s19;;s19;s20;d23;s1s18s21;s10s12s21;s11s17s24;d18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1/rA:1H/rB:/rC:;<>0/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)(4,5)(6,7)/rA:28CCCCCCCCCCCCCCCCCCCCCNNNNNOO/rB:;s2;;;s4;d5;;d8;;;;;d4s5s11;s2s3s12;d6s7;s8d10s16;s10;s9d18;s13;;s18;d22;s1s20s21;s11s13s21;s12s19s23;d20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2/rA:2CO/rB:s1;/rC:;;!0/N:1/rA:1Pd/rB:/rC:;
Long-RInChIKey=SA-FUHFF-WUIOBRZMFPFMKL-UHFFFAOYSA-N-UFHFLCQGNIYNRP-UHFFFAOYSA-N--RWRFGJJCLOHBQO-UHFFFAOYSA-N--OKKJLVBELUTLKV-UHFFFAOYSA-N-KDLHZDBZIXYQEI-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-DKCLZCUXMH-RWRFGJJCLO-NZJSNPQOFC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=HGENGHYIYQJIQHRDX-NUHFFFADPSCTJSA