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)!CN.Cu/c1-2;<>C18H22N6O3S/c1-10-14-9-23(28(2,26)27)8-12(14)4-15(10)22-17-13(18(20)25)6-21-24-7-11(5-19)3-16(17)24/h3,6-7,10,12,14-15,22H,4,8-9H2,1-2H3,(H2,20,25)<>C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3!C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/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/CRV:1d;/rA:3C.2NCu/rB:t1;;/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/E:(26,27)/CRV:28.6/rA:28CCCCCCCCCCCCCCCCCCNNNNNNOOOS/rB:;;;;;;;;s1;s3s5d7;s4s8;s6;s9s10s12;s4s10;d3;d13s16;s13;t5;d18;d6;s15s17;s8s9;s7s16s21;s18;;;s2s23d26d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/rC:;;;;;;!0/N:1,2,3,4,5,6,7/rA:7CCCCCNO/rB:;s2;s2;s3;s1s4s5;d5;/rC:;;;;;;;
Long-RInChIKey=SA-FUHFF-XFALJTHJTAYECB-UHFFFAOYSA-N-DULSAGLWMRMKCQ-UHFFFAOYSA-N--ICXFUQBIQOTOGL-UHFFFAOYSA-N--XEKOWRVHYACXOJ-UHFFFAOYSA-N-SECXISVLQFMRJM-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-BIGKITMYII-ICXFUQBIQO-AOPTUINAZQ-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=NLFFYICUSFPQHIZLW-NUHFFFADPSCTJSA