30 31 0 0000 0 0 0 0 0999 V2000 4.6045 -7.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4577 -6.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3108 -7.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4577 -5.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1468 -6.4189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3108 -8.4216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3108 -4.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1468 -5.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7514 -5.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0180 -4.6901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 7.0180 -6.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.4288 -8.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8054 -5.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1406 -5.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7514 -6.4189 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 9.8081 -4.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.1261 -4.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.1261 -2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.1288 -3.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.1144 -2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.1171 -1.1468 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 15.1144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.7820 -1.1468 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 16.4496 -2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.4640 -3.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.7964 -2.3108 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 13.1288 -1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.7937 -3.4577 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 12.4613 -4.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 1 2 1 0 2 3 2 0 2 4 1 0 3 5 1 0 3 6 1 0 4 7 2 0 5 8 2 0 7 8 1 0 8 9 1 0 10 11 1 0 10 16 2 0 11 14 1 0 12 14 2 0 12 16 1 0 12 13 1 0 14 15 1 0 15 17 1 0 17 18 1 0 18 29 1 0 19 29 2 0 20 29 1 0 20 27 1 0 21 27 1 0 21 24 1 0 22 24 1 0 23 24 2 0 24 25 1 0 26 27 1 0 27 28 2 0 29 30 1 0 M CHG 2 16 1 22 -1 M END > InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23) > IWLROWZYZPNOFC-UHFFFAOYSA-N > 1/2/N:13,9,15,17,4,1,10,12,8,2,14,3,6,7,5,16,22,23,25,19,30,26,28,18,21,20,24,29,27,11/E:(17,18,19)(20,21)(22,23)/CRV:16+1,17-1/rA:30nCCCCNNNCCCSCCCCN+COOOOO-OPOOPOPO/rB:s1;d2;s2;s3;s3;d4;d5s7;s8;;s10;;s12;s11d12;s14;s1d10s12;s15;s17;;;;;;s21s22d23;s24;;s20s21s26;d27;s18d19s20;s29;/rC:4.6045,-7.0865,0;3.4577,-6.4189,0;2.3108,-7.0865,0;3.4577,-5.1009,0;1.1468,-6.4189,0;2.3108,-8.4216,0;2.3108,-4.4333,0;1.1468,-5.1009,0;0,-4.4333,0;5.7514,-5.1009,0;7.018,-4.6901,0;7.018,-6.8297,0;7.4288,-8.0964,0;7.8054,-5.7685,0;9.1406,-5.7685,0;5.7514,-6.4189,0;9.8081,-4.6045,0;11.1261,-4.6045,0;11.1261,-2.3108,0;13.1288,-3.4577,0;15.1144,-2.3108,0;17.1171,-1.1468,0;15.1144,0,0;15.782,-1.1468,0;16.4496,-2.3108,0;14.464,-3.4577,0;13.7964,-2.3108,0;13.1288,-1.1468,0;11.7937,-3.4577,0;12.4613,-4.6045,0; > C12 H19 N4 O10 P3 S > 504.2863 > C(C1C=NC(C)=NC=1N)[N+]1C(C)=C(CCOP(O)(OP(=O)(O)OP(O)(=O)[O-])=O)SC=1 > 17927 $$$$