70540809 -OEChem-03282409452D 45 47 0 1 0 0 0 0 0999 V2000 3.7320 -3.3924 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 2.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 2.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 4.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3972 3.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.9123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.6972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 2.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7210 1.8628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7238 3.4808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6743 3.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4843 3.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 3.2257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 1.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 3.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 2.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8319 4.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 4.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 4.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 0.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8994 3.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 11 3 1 6 0 0 0 3 31 1 0 0 0 0 13 4 1 6 0 0 0 4 32 1 0 0 0 0 5 15 1 0 0 0 0 5 34 1 0 0 0 0 12 6 1 1 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 35 1 0 0 0 0 10 19 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 1 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END > 70540809 > 1 > 421 > 9 > 4 > 6 > AAADceBzuABAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgQQCAAACBzl1waH8L/MFgigAQZhZACAgC1RELABUKAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(isopropylsulfanylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(propan-2-ylthio)methylamino]-9-purinyl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(propan-2-ylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(propan-2-ylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(propan-2-ylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-[(isopropylthio)methylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C14H21N5O4S/c1-7(2)24-6-18-12-9-13(16-4-15-12)19(5-17-9)14-11(22)10(21)8(3-20)23-14/h4-5,7-8,10-11,14,20-22H,3,6H2,1-2H3,(H,15,16,18)/t8-,10-,11-,14-/m1/s1 > ZWPVCWFFRVNBQU-IDTAVKCVSA-N > 1.2 > 355.13142534 > C14H21N5O4S > 355.42 > CC(C)SCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O > CC(C)SCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O > 151 > 355.13142534 > 0 > 24 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 19 8 10 20 8 14 15 5 16 18 8 18 19 8 11 3 6 13 4 6 12 6 5 6 16 8 6 17 8 7 17 8 7 18 8 8 16 8 8 20 8 $$$$