70580365 -OEChem-03282421162D 57 59 0 1 0 0 0 0 0999 V2000 4.4026 1.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 0.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 2.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 3.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -4.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.0127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 1.3201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 2.3201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.6308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 3.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 4.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 1.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 2.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 2.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 3.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 4.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 0.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 3.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -2.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -2.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 -3.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 -2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -1.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 4.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 5.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8092 4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -3.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -3.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -3.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -2.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -4.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -4.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 13 2 1 1 0 0 0 2 35 1 0 0 0 0 14 3 1 1 0 0 0 3 36 1 0 0 0 0 4 16 1 0 0 0 0 4 25 1 0 0 0 0 12 5 1 6 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 18 2 0 0 0 0 8 27 1 0 0 0 0 9 23 1 0 0 0 0 9 27 2 0 0 0 0 10 23 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 28 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 6 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > 70580365 > 1 > 477 > 10 > 5 > 10 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYH8L/MFgCgAQZhZACAgC0REKABUKAoVBCDWAJAyEAeRAgPEALTACHwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,4S,5R)-2-[6-amino-8-(6-aminohexylamino)purin-9-yl]-5-(methoxymethyl)tetrahydrofuran-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-8-(6-aminohexylamino)-9-purinyl]-5-(methoxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-8-(6-aminohexylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-8-(6-aminohexylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-azanyl-8-(6-azanylhexylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-8-(6-aminohexylamino)purin-9-yl]-5-(methoxymethyl)tetrahydrofuran-3,4-diol > InChI=1S/C17H29N7O4/c1-27-8-10-12(25)13(26)16(28-10)24-15-11(14(19)21-9-22-15)23-17(24)20-7-5-3-2-4-6-18/h9-10,12-13,16,25-26H,2-8,18H2,1H3,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1 > RCUHOOOUICGXRQ-XNIJJKJLSA-N > -1.1 > 395.22810243 > C17H29N7O4 > 395.5 > COCC1C(C(C(O1)N2C3=NC=NC(=C3N=C2NCCCCCCN)N)O)O > COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=NC=NC(=C3N=C2NCCCCCCN)N)O)O > 167 > 395.22810243 > 0 > 28 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 16 6 18 19 8 19 23 8 13 2 5 14 3 5 12 5 6 5 17 8 5 18 8 7 17 8 7 19 8 8 18 8 8 27 8 9 23 8 9 27 8 $$$$