70691672 -OEChem-03292406382D 52 54 0 1 0 0 0 0 0999 V2000 10.2072 4.0620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 2.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 2.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 4.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3972 3.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7936 3.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 4.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.5698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0172 4.6484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 2.8002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7238 3.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7210 1.9902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6743 3.2975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4843 3.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 3.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 3.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 3.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8319 4.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 4.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 5.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 0.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5832 4.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9535 5.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 14 3 1 6 0 0 0 3 35 1 0 0 0 0 15 4 1 6 0 0 0 4 36 1 0 0 0 0 5 18 1 0 0 0 0 16 8 1 1 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 20 2 0 0 0 0 9 21 1 0 0 0 0 10 19 2 0 0 0 0 10 25 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 38 1 0 0 0 0 12 22 1 0 0 0 0 12 25 2 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 1 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END > 70691672 > 1 > 606 > 11 > 4 > 9 > AAADceBzuABAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQSAAACBzhlwYH8L/MFgCgAQZhZDCAgC0REKABUKAoVBCDWAJAyEAeRAgPEALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(pentylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl sulfamate > sulfamic acid [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(pentylamino)-9-purinyl]-2-oxolanyl]methyl ester > [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(pentylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate > [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(pentylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate > [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[6-(pentylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate > sulfamic acid [(2R,3S,4R,5R)-5-[6-(amylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester > InChI=1S/C15H24N6O6S/c1-2-3-4-5-17-13-10-14(19-7-18-13)21(8-20-10)15-12(23)11(22)9(27-15)6-26-28(16,24)25/h7-9,11-12,15,22-23H,2-6H2,1H3,(H2,16,24,25)(H,17,18,19)/t9-,11-,12-,15-/m1/s1 > UCAPKLKUTSIFCE-SDBHATRESA-N > -0.5 > 416.14780368 > C15H24N6O6S > 416.5 > CCCCCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O > CCCCCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O > 183 > 416.14780368 > 0 > 28 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 19 8 10 25 8 12 22 8 12 25 8 17 18 5 19 21 8 21 22 8 14 3 6 15 4 6 16 8 5 8 19 8 8 20 8 9 20 8 9 21 8 $$$$