34 37 0 0000 0 0 0 0 0999 V2000 5.4641 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 12.1901 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9171 -0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6065 1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.8956 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9171 2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.2063 -1.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 2 0 1 6 1 0 1 16 1 0 4 23 1 0 4 32 1 0 5 28 2 0 6 12 1 0 6 13 1 0 7 14 1 0 7 15 1 0 7 17 1 0 8 22 1 0 8 27 1 0 8 28 1 0 9 21 1 0 9 22 1 0 9 34 1 0 10 25 1 0 10 27 2 0 11 21 2 0 11 28 1 0 12 14 1 0 13 15 1 0 16 18 2 0 16 20 1 0 18 19 1 0 19 21 1 0 19 23 2 0 20 24 2 0 22 25 2 0 23 24 1 0 25 26 1 0 26 29 1 0 27 30 1 0 29 31 1 0 32 33 1 0 M END > 10 25 8 10 27 8 11 21 8 11 28 8 16 18 8 16 20 8 18 19 8 19 23 8 20 24 8 22 25 8 23 24 8 8 22 8 8 27 8 8 28 8 9 21 8 9 22 8 > InChI=1S/C22H30N6O4S/c1-5-7-18-21-24-20(25-22(29)28(21)15(3)23-18)17-14-16(8-9-19(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,29) > IORIFVGSXLSIDK-UHFFFAOYSA-N > 1/1/N:31,33,30,17,29,32,26,20,24,14,15,12,13,18,27,16,19,25,23,21,22,28,10,9,11,7,6,8,5,2,3,4,1/E:(10,11)(12,13)(30,31)/CRV:33.6/rA:63nSOOOONNNNNNCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:d1;d1;;;s1;;;;;;s6;s6;s7s12;s7s13;s1;s7;d16;s18;s16;s9d11s19;s8s9;s4d19;d20s23;s10d22;s25;s8d10;d5s8s11;s26;s27;s29;s4;s32;s12;s12;s13;s13;s14;s14;s15;s15;s17;s17;s17;s18;s20;s24;s9;s26;s26;s29;s29;s30;s30;s30;s31;s31;s31;s32;s32;s33;s33;s33;/rC:5.4641,.5,0;5.9641,1.366,0;4.9641,-.366,0;8.9282,-1.5,0;9.7942,3,0;4.5981,1,0;2.866,2,0;10.6603,1.5,0;9.7942,0,0;12.1901,1,0;8.9282,1.5,0;4.5981,2,0;3.7321,.5,0;3.7321,2.5,0;2.866,1,0;6.3301,0,0;2,2.5,0;7.1962,.5,0;8.0622,0,0;6.3301,-1,0;8.9282,.5,0;10.6603,.5,0;8.0622,-1,0;7.1962,-1.5,0;11.6065,.1953,0;11.9171,-.7553,0;11.6065,1.8047,0;9.7942,2,0;12.8956,-.9615,0;11.9171,2.7553,0;13.2063,-1.912,0;8.9282,-2.5,0;9.7942,-3,0;5.2087,1.8923,0;4.8101,2.5826,0;3.3335,.0251,0;4.1306,.0251,0;4.1306,2.9749,0;3.3335,2.9749,0;2.2554,1.1077,0;2.654,.4174,0;2.31,3.0369,0;1.4631,2.81,0;1.69,1.9631,0;7.1962,1.12,0;5.7932,-1.31,0;7.1962,-2.12,0;9.7942,-.62,0;11.8966,-1.3749,0;11.3033,-.8426,0;12.9162,-.3418,0;13.5095,-.8741,0;11.3278,2.9479,0;12.1097,3.3446,0;12.5065,2.5626,0;12.617,-2.1046,0;13.7956,-1.7194,0;13.3989,-2.5013,0;8.7162,-3.0826,0;8.3176,-2.3923,0;9.4842,-3.5369,0;10.3312,-3.31,0;10.1042,-2.4631,0; > C22 H30 N6 O4 S > 474.5764 > S(C1C([H])=C([H])C(=C(C2=NC(N3C(C([H])([H])[H])=NC(C([H])([H])C([H])([H])C([H])([H])[H])=C3N2[H])=O)C=1[H])OC([H])([H])C([H])([H])[H])(N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])(=O)=O > 8402807 $$$$