RInChI=1.00.1S/C15H20BrN5O/c1-15(2)8-18-4-3-12(15)20-13-10(14(17)22)6-19-21-7-9(16)5-11(13)21/h5-7,12,18,20H,3-4,8H2,1-2H3,(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/c1-16(2)9-21(26(3,24)25)5-4-13(16)20-14-11(15(18)23)7-19-22-8-10(17)6-12(14)22/h6-8,13,20H,4-5,9H2,1-3H3,(H2,18,23)<>CH2Cl2/c2-1-3/h1H2/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/E:(1,2)/rA:22CCCCCCCCCCCCCCCBrNNNNNO/rB:;;s3;;;;;s5d7;s6;d5;s3;d10s11;s10;s1s2s8s12;s9;d14;s4s8;d6;s12s13;s7s11s19;s14;/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:(1,2)(24,25)/CRV:26.6/rA:26CCCCCCCCCCCCCCCCBrNNNNNOOOS/rB:;;;s4;;;;;s6d8;s7;d6;s4;d11s12;s11;s1s2s9s13;s10;d15;d7;s13s14;s5s9;s8s12s19;s15;;;s3s21d24d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;
Long-RInChIKey=SA-FUHFF-TVHQPFUHBFJAOU-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N-QARBMVPHQWIHKH-UHFFFAOYSA-N--ZUZGZYSGJWFPET-UHFFFAOYSA-N--YMWUJEATGCHHMB-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-SFYSHDJGGA-ZUZGZYSGJW-YMWUJEATGC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=HGXRFASIASCHGHJUK-NUHFFFADPSCTJSA