440568 -OEChem-05062413242D 52 53 0 1 0 0 0 0 0999 V2000 6.2177 1.5480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 2.0910 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.4646 2.7955 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 2.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4701 2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6913 1.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0733 2.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 2.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5691 3.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3456 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 1.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4964 2.0092 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7122 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 2.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 -0.0185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 0.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3854 -1.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 -0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 1.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3538 2.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 1.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 1.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 3.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -4.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -4.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6265 0.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8236 3.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 4.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 2 0 0 0 0 4 20 1 0 0 0 0 4 44 1 0 0 0 0 5 24 1 0 0 0 0 7 50 1 0 0 0 0 9 51 1 0 0 0 0 10 52 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 26 2 0 0 0 0 13 28 1 0 0 0 0 14 27 1 0 0 0 0 14 28 2 0 0 0 0 15 26 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 25 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M CHG 1 12 1 M END > 440568 > 1 > 643 > 12 > 5 > 9 > AAADceBzvANAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHgQQCCAADBzh3wYvsZdMExikQxZnZISA8KlxCLgBWDQ4RBiCOIJgyUAEBAgsQAP4SCKgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate > 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate > 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate > 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate > 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate > 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate > InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1 > RRUVJGASJONMDY-UHFFFAOYSA-O > -1.6 > 469.07118387 > C14H23N4O8P2S+ > 469.37 > CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O > CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O > 217 > 469.07118387 > 1 > 29 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 17 8 1 18 8 12 16 8 12 17 8 13 26 8 13 28 8 14 27 8 14 28 8 16 18 8 23 26 8 23 27 8 20 4 3 $$$$