RInChI=1.00.1S/C17H22BrN5O3S/c1-9-13-8-22(27(2,25)26)6-10(13)3-14(9)21-16-12(17(19)24)5-20-23-7-11(18)4-15(16)23/h4-5,7,9-10,13-14,21H,3,6,8H2,1-2H3,(H2,19,24)!C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3!C4H8O2/c1-2-6-4-3-5-1/h1-4H2!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C22H29N7O5S/c1-12-17-11-26(35(3,33)34)9-14(17)6-18(12)25-20-16(21(23)31)8-24-29-10-15(7-19(20)29)28-5-4-27(13(2)30)22(28)32/h7-8,10,12,14,17-18,25H,4-6,9,11H2,1-3H3,(H2,23,31)<>Cu.HI/h;1H/q+1;/p-1/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/E:(25,26)/CRV:27.6/rA:27CCCCCCCCCCCCCCCCCBrNNNNNOOOS/rB:;;;;;;;s1;s3s6;s4d7;s5;s8s9s10;s3s9;d4;d12s15;s12;s11;d17;d5;s14s16;s6s8;s7s15s20;s17;;;s2s22d25d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/E:(1,2)/rA:6CCCCNN/rB:;;s3;s3;s1s2s4;/rC:;;;;;;!0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/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:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35/E:(33,34)/CRV:35.6/rA:35CCCCCCCCCCCCCCCCCCCCCCNNNNNNNOOOOOS/rB:;;;s4;;;;;;;s1;s2;s6s9;s7d10;s8;s11s12s14;s6s12;d7;d16s19;s16;;d21;d8;s18s20;s9s11;s4s13s22;s5s15s22;s10s19s24;d13;s21;d22;;;s3s26d33d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>1/N:1;2/rA:2Cu+I-/rB:;/rC:;;
Long-RInChIKey=SA-FUHFF-XFALJTHJTAYECB-UHFFFAOYSA-N-DILRJUIACXKSQE-UHFFFAOYSA-N-RYHBNJHYFVUHQT-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--ORTGRWHHDWNTIU-UHFFFAOYSA-N--LSXDOTMGLUJQCM-UHFFFAOYSA-M
Short-RInChIKey=SA-FUHFF-RNFABEGESW-ORTGRWHHDW-LSXDOTMGLU-LUHFF-NUHFF-MUHFF-ZZZ
Web-RInChIKey=DEVQFXPHWSTZFUHVA-KUHFFFADPSCTJSA