RInChI=1.00.1S/C15H20BrN5O/c1-2-9-6-18-4-3-12(9)20-14-11(15(17)22)7-19-21-8-10(16)5-13(14)21/h5,7-9,12,18,20H,2-4,6H2,1H3,(H2,17,22)!C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3!CH3ClO2S/c1-5(2,3)4/h1H3<>C16H22BrN5O3S/c1-3-10-8-21(26(2,24)25)5-4-13(10)20-15-12(16(18)23)7-19-22-9-11(17)6-14(15)22/h6-7,9-10,13,20H,3-5,8H2,1-2H3,(H2,18,23)<>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/rA:22CCCCCCCCCCCCCCCBrNNNNNO/rB:s1;;s3;;;;;s2s6;s5d8;s7;s3s9;d5;d11s13;s11;s10;d15;s4s6;d7;s12s14;s8s13s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3,4,5)(7,8)/rA:9CCCCCCCCN/rB:;;;;s1;s2s3;s4s5;s6s7s8;/rC:;;;;;;;;;!0/N:1,2,3,4,5/E:(3,4)/CRV:5.6/rA:5CClOOS/rB:;;;s1s2d3d4;/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:(24,25)/CRV:26.6/rA:26CCCCCCCCCCCCCCCCBrNNNNNOOOS/rB:;s1;;s4;;;;;s3s8;s6d9;s7;s4s10;d6;d12s14;s12;s11;d16;d7;s13s15;s5s8;s9s14s19;s16;;;s2s21d24d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-OPZWPPPMSBEQFS-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N-QARBMVPHQWIHKH-UHFFFAOYSA-N--ZBYLXQZUMLUUIJ-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-VWAKNHCGPB-ZBYLXQZUML-ZMXDDKWLCZ-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=QNFSFBMDFMCATQIOV-NUHFFFADPSCTJSA