2022 Marvin 12300703363D 27 28 0 0 0 0 999 V2000 0.6617 1.3120 0.4441 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1721 -4.9551 -0.5397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 4.6011 1.8449 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -0.6276 -0.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 -1.2190 -0.7277 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 -2.7378 -0.5813 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -3.4367 -0.5035 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0865 -1.9434 -0.4821 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -1.4512 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.8011 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8045 -2.7634 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -1.4331 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -3.7765 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 -2.2104 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 2.7439 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 3.1796 1.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 1.1086 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 1.2082 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 -1.1070 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 -0.3466 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 3.1262 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 3.1994 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 2.7684 1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 2.8312 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 -1.0678 -0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -2.6140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 4.8098 2.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 27 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 7 14 2 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 12 19 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END > 11 13 8 4 12 8 4 9 8 5 14 8 5 9 8 6 11 8 6 12 8 7 13 8 7 14 8 9 11 8 > InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15) > MKUXAQIIEYXACX-UHFFFAOYSA-N > 1/1/N:16,15,12,10,11,9,13,14,8,6,5,7,4,3,2,1/rA:27nOOONNNNNCCCCCCCCHHHHHHHHHHH/rB:;;;;;;;s4s5;s1s4;s6d9;s4d6;d2s7s11;s5d7s8;s1;s3s15;s10;s10;s12;s5;s15;s15;s16;s16;s8;s8;s3;/rC:.6617,1.312,.4441;.1721,-4.9551,-.5397;-.2967,4.6011,1.8449;1.3906,-.6276,-.678;-.9878,-1.219,-.7277;2.1439,-2.7378,-.5813;-1.421,-3.4367,-.5035;-3.0865,-1.9434,-.4821;.3297,-1.4512,-.6853;1.3543,.8011,-.7124;.8045,-2.7634,-.6088;2.4747,-1.4331,-.6207;-.148,-3.7765,-.5566;-1.8403,-2.2104,-.5772;.543,2.7439,.5263;-.2114,3.1796,1.7971;.8457,1.1086,-1.6306;2.3693,1.2082,-.7419;3.4433,-1.107,-.6008;-1.3001,-.3466,-.8546;.0003,3.1262,-.3426;1.5369,3.1994,.5471;-1.2229,2.7684,1.8011;.3118,2.8312,2.6899;-3.3872,-1.0678,-.6176;-3.699,-2.614,-.2602;-.7808,4.8098,2.6711; > C8 H11 N5 O3 > 225.2046 > O(C([H])([H])C([H])([H])O[H])C([H])([H])N1C([H])=NC2C(N=C(N([H])[H])N([H])C1=2)=O > 1945 $$$$