RInChI=1.00.1S/C23H25N7O2/c1-15-10-20(26-23-7-4-17(12-24)13-25-23)19-11-18(5-6-22(19)30(15)16(2)31)21-14-29(28-27-21)8-9-32-3/h4-7,11,13-15,20H,8-10H2,1-3H3,(H,25,26)!C23H25N7O2/c1-15-10-20(27-23-7-4-17(12-24)13-25-23)19-11-18(5-6-22(19)30(15)16(2)31)21-14-26-29(28-21)8-9-32-3/h4-7,11,13-15,20H,8-10H2,1-3H3,(H,25,27)<>C3H7BrO/c1-5-3-2-4/h2-3H2,1H3!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!HI.Na/h1H;/q;+1/p-1<>C3H7NO/c1-4(2)3-5/h3H,1-2H3/d-

RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32/rA:32CCCCCCCCCCCCCCCCCCCCCCCNNNNNNNOO/rB:;;;;d5;d4;;s8;;;;;;s1s10;s2;s4s12d13;s5d11;s11;s10s19;d14s18;s6d19;s7;t12;s13s23;s20d23;s21;d27;s8s14s28;s15s16s22;d16;s3s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32/rA:32CCCCCCCCCCCCCCCCCCCCCCCNNNNNNNOO/rB:;;;;d5;d4;;s8;;;;;;s1s10;s2;s4s12d13;s5d11;s11;s10s19;s14s18;s6d19;s7;t12;s13s23;d14;s20d23;d21;s8s26s28;s15s16s22;d16;s3s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/rA:5CCCBrO/rB:;s2;s2;s1s3;/rC:;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;s1;;;/rC:;;;;;;!1/N:1;2/rA:2I-Na+/rB:;/rC:;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;

Long-RInChIKey=SA-BUHFF-KYVMTLSOHCPVCN-UHFFFAOYSA-N-QTJUTPKGHABIIE-UHFFFAOYSA-N--YZUPZGFPHUVJKC-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L-FVAUCKIRQBBSSJ-UHFFFAOYSA-M--ZMXDDKWLCZADIW-UHFFFAOYSA-N

Short-RInChIKey=SA-BUHFF-HUCUFDMCIJ-HYKLAQDQRL-ZMXDDKWLCZ-NUHFF-KUHFF-NUHFF-ZZZ

Web-RInChIKey=LMXFMTAKBIKJMEDIF-KUHFFFADPSCTJSA