RInChI=1.00.1S/C17H21BrN4O3/c1-16(2)12(4-5-17(16,3)15(24)25)21-13-10(14(19)23)7-20-22-8-9(18)6-11(13)22/h6-8,12,21H,4-5H2,1-3H3,(H2,19,23)(H,24,25)<>C18H23BrN4O3/c1-17(2)13(5-6-18(17,3)16(25)26-4)22-14-11(15(20)24)8-21-23-9-10(19)7-12(14)23/h7-9,13,22H,5-6H2,1-4H3,(H2,20,24)!K.H2O/h;1H2/q+1;/p-1<>C2H6O/c1-2-3/h3H,2H2,1H3!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/d-
RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25/E:(1,2)(24,25)/rA:25CCCCCCCCCCCCCCCCCBrNNNNOOO/rB:;;;s4;;;;s6d8;s7;d6;s4;d10s11;s10;;s1s2s12;s3s5s15s16;s9;d14;d7;s12s13;s8s11s20;s14;d15;s15;/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/E:(1,2)/rA:26CCCCCCCCCCCCCCCCCCBrNNNNOOO/rB:;;;;s5;;;;s7d9;s8;d7;s5;d11s12;s11;;s1s2s13;s3s6s16s17;s10;d15;d8;s13s14;s9s12s21;s15;d16;s4s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1;2/rA:2K+O-/rB:;/rC:;;<>0/N:1,2,3/rA:3CCO/rB:s1;s2;/rC:;;;!0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/rC:;;;;;;
Long-RInChIKey=SA-BUHFF-LVOBMMKIWYTGKO-UHFFFAOYSA-N--XBONHKAEPVKPJK-UHFFFAOYSA-N-KWYUFKZDYYNOTN-UHFFFAOYSA-M--LFQSCWFLJHTTHZ-UHFFFAOYSA-N-XEKOWRVHYACXOJ-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-LVOBMMKIWY-MKAVTRCYNL-QXOCEMWAOC-NUHFF-MUHFF-NUHFF-ZZZ
Web-RInChIKey=ZFARZJWKRBXTBKUPA-MUHFFFADPSCTJSA