1019 3D 57 61 0 0 1 0 0 0 0 0999 V2000 2.7049 0.4757 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 1.3490 0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 1.1104 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 0.7318 -1.2634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5844 -0.5887 -0.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 -1.8901 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 -3.0168 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3597 -2.8534 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 -1.4932 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9973 -0.3386 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -5.1098 3.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 -4.2785 2.2692 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 -4.8945 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 -6.2172 0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 -7.0069 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 -6.4077 2.9914 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 -5.2481 -1.0382 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -4.3584 -0.0297 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 -6.3824 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 -7.5901 -1.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -7.7800 -2.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -8.9585 -3.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9541 -9.9445 -2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 -9.7646 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 -8.5770 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -11.1163 -3.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9898 -11.5415 -4.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5836 -12.7204 -3.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 -13.2049 -4.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2706 -12.5184 -5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6607 -11.3520 -5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 -10.8643 -5.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -8.3636 1.6024 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2975 2.1726 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9518 0.2881 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 1.7483 2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0243 -1.9088 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.9731 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 0.5862 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 -0.1688 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 -2.8992 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 -2.9349 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 -3.6497 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9093 -1.3420 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -1.4915 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 -4.6848 4.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -8.5162 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -8.9346 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 -7.0227 -2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -8.4386 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -9.1080 -3.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -10.5325 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -13.2606 -2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 -9.9626 -5.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1973 -14.1186 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1644 -12.8967 -5.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0822 -10.8267 -6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 11 46 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 21 49 1 0 0 0 0 25 50 1 0 0 0 0 22 51 1 0 0 0 0 24 52 1 0 0 0 0 28 53 1 0 0 0 0 32 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > 120.87859475006189 > InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 > XYFPWWZEPKGCCK-GOSISDBHSA-N > 1/1/N:3,2,30,29,31,9,8,28,32,21,25,22,24,10,6,11,20,7,27,23,1,14,19,15,13,33,16,12,17,5,18,4,26/E:(4,5)(8,9)(10,11)(12,13)/it:im/rA:57cCCCONCCCCCCNCCCNNNCCCCCCCOCCCCCCNHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;d2;d1;s1;s5;s6;s7;s8;s5s9;;s11;d12;s13;d14;d11s15;;s7s13s17;s14d17;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;d28;s29;d30;d27s31;s15;s2;s3;s3;s6;s6;s10;s10;s7;s8;s8;s9;s9;s11;s33;s33;s21;s25;s22;s24;s28;s32;s29;s30;s31;/rC:2.7049,.4757,-.2347;2.6019,1.349,.9563;1.6522,1.1104,1.8651;2.0858,.7318,-1.2634;3.5844,-.5887,-.0783;3.0456,-1.8901,.3088;3.9135,-3.0168,-.2607;5.3597,-2.8534,.2264;5.9024,-1.4932,-.2164;4.9973,-.3386,.2069;2.0354,-5.1098,3.1526;2.6169,-4.2785,2.2692;2.8425,-4.8945,1.0976;2.5509,-6.2172,.7934;1.9538,-7.0069,1.795;1.6948,-6.4077,2.9914;3.5147,-5.2481,-1.0382;3.4025,-4.3584,-.0297;3.0049,-6.3824,-.5443;2.9922,-7.5901,-1.3446;2.009,-7.78,-2.3212;1.9923,-8.9585,-3.0679;2.9541,-9.9445,-2.8347;3.9254,-9.7646,-1.846;3.9572,-8.577,-1.1172;2.8416,-11.1163,-3.5516;3.9898,-11.5415,-4.179;4.5836,-12.7204,-3.7213;5.729,-13.2049,-4.3496;6.2706,-12.5184,-5.437;5.6607,-11.352,-5.904;4.51,-10.8643,-5.2833;1.643,-8.3636,1.6024;3.2975,2.1726,1.051;.9518,.2881,1.7684;1.5663,1.7483,2.7388;3.0243,-1.9088,1.4043;2.009,-1.9731,-.0384;5.2998,.5862,-.2992;5.0889,-.1688,1.2857;3.916,-2.8992,-1.3559;5.4054,-2.9349,1.3197;5.997,-3.6497,-.1767;6.9093,-1.342,.1894;5.9946,-1.4915,-1.31;1.8095,-4.6848,4.1242;1.1592,-8.5162,.7206;2.4847,-8.9346,1.635;1.2505,-7.0227,-2.5043;4.727,-8.4386,-.3623;1.2186,-9.108,-3.8155;4.6629,-10.5325,-1.6335;4.16,-13.2606,-2.8794;4.0362,-9.9626,-5.6598;6.1973,-14.1186,-3.995;7.1644,-12.8967,-5.9246;6.0822,-10.8267,-6.756; > C25 H24 N6 O2 > 440.4971 > C(N1C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N2N=C(C3=C([H])C([H])=C(OC4=C([H])C([H])=C([H])C([H])=C4[H])C([H])=C3[H])C3=C(N([H])[H])N=C([H])N=C32)C1([H])[H])(=O)C([H])=C([H])[H] > 26637187 $$$$