RInChI=1.00.1S/C21H24ClN5/c22-20-18(7-8-19-21(20)24-25-27(19)14-16-1-2-16)17-5-3-15(4-6-17)13-26-11-9-23-10-12-26/h3-8,16,23H,1-2,9-14H2<>C26H32ClN5O2/c1-26(2,3)34-25(33)31-14-12-30(13-15-31)16-18-6-8-20(9-7-18)21-10-11-22-24(23(21)27)28-29-32(22)17-19-4-5-19/h6-11,19H,4-5,12-17H2,1-3H3!CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1!ClH/h1H<>CH2Cl2/c2-1-3/h1H2!CH4O/c1-2/h2H,1H3!H2O/h1H2/d-
RAuxInfo=1.00.1/0/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:(1,2)(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCCCCCCCCCCCCCCCCCClNNNNN/rB:s1;;;s3;d4;;d7;;;s9;s10;;;d3s4s13;s1s2s14;d5s6;s7s17;s8;d18;d19s20;s20;s9s10;s21;d24;s11s12s13;s14s19s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/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/E:(1,2,3)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:34CCCCCCCCCCCCCCCCCCCCCCCCCCClNNNNNOO/rB:;;;s4;;;s6;d7;;d10;;;s12;s13;;;d6s7s16;s4s5s17;d8s9;s10s20;s11;d21;d22s23;;s1s2s3;s23;s24;d28;s12s13s16;s14s15s25;s17s22s29;d25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5/E:(2,3,4);/rA:5COO-ONa+/rB:d1;s1;s1;;/rC:;;;;;!0/N:1/rA:1Cl/rB:/rC:;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;!0/N:1,2/rA:2CO/rB:s1;/rC:;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-BUHFF-ITXFKQAXWWSJCS-UHFFFAOYSA-N--PSFBFDAWPDKWMS-UHFFFAOYSA-N-UIIMBOGNXHQVGW-UHFFFAOYSA-M-VEXZGXHMUGYJMC-UHFFFAOYSA-N--YMWUJEATGCHHMB-UHFFFAOYSA-N-OKKJLVBELUTLKV-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-ITXFKQAXWW-DXOWAAPOQN-ONKHHKJXKZ-NUHFF-MUHFF-NUHFF-ZZZ
Web-RInChIKey=CPHVDORCTFCTNANVL-MUHFFFADPSCTJSA