51360281 -OEChem-04242420332D 60 64 0 1 0 0 0 0 0999 V2000 7.4661 0.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8902 -1.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0183 -1.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 2.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 0.3269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 0.5588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4698 -0.9759 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3333 0.9841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -1.4071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 -1.5852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -0.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 -0.6436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2751 -0.4357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7970 0.2224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3797 0.5588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2457 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4698 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3062 1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3758 0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3758 -0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 -0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4582 -1.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6872 -1.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 -0.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 0.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 -2.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 1.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 1.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 -1.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8634 1.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0652 1.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5593 1.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9867 0.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 1.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 -1.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9867 -0.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 -1.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 -0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -1.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3068 -0.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8382 -1.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4510 -2.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0782 -1.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -2.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 0.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 1 0 0 0 2 38 1 0 0 0 0 13 3 1 1 0 0 0 3 41 1 0 0 0 0 4 16 2 0 0 0 0 14 5 1 6 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 28 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 31 1 0 0 0 0 8 21 2 0 0 0 0 8 27 1 0 0 0 0 9 17 2 0 0 0 0 9 33 1 0 0 0 0 10 32 1 0 0 0 0 10 33 2 0 0 0 0 11 32 1 0 0 0 0 11 59 1 0 0 0 0 11 60 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 6 0 0 0 15 37 1 0 0 0 0 17 27 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 26 2 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 32 2 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 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 53 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 33 58 1 0 0 0 0 M END > 51360281 > 1 > 716 > 9 > 3 > 4 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWJAAAA8WIAAAAAAAFix/AAAHgAQCAAADBzhnwY38L9MFgCoAydzdAKCgC0xEqAJ2CFodJiLeDbA2dWfZAhvpgLbyCe6lcIOCAACAAACAAAQAAQAAAQAAAAAAAAAAA== > (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]tetrahydrofuran-2-carboxamide > (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxolanecarboxamide > (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolane-2-carboxamide > (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolane-2-carboxamide > (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3,4-bis(oxidanyl)oxolane-2-carboxamide > (2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]tetrahydrofuran-2-carboxamide > InChI=1S/C22H27N7O4/c1-27-7-3-4-13-8-12(5-6-14(13)27)9-28(2)21(32)18-16(30)17(31)22(33-18)29-11-26-15-19(23)24-10-25-20(15)29/h5-6,8,10-11,16-18,22,30-31H,3-4,7,9H2,1-2H3,(H2,23,24,25)/t16-,17+,18-,22+/m0/s1 > BEEKFKNMYOAQGU-RQXXJAGISA-N > 0.3 > 453.21245237 > C22H27N7O4 > 453.5 > CN1CCCC2=C1C=CC(=C2)CN(C)C(=O)C3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O > CN1CCCC2=C1C=CC(=C2)CN(C)C(=O)[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O > 143 > 453.21245237 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 32 8 10 33 8 15 16 6 17 27 8 19 24 8 19 26 8 12 2 5 23 26 8 23 29 8 24 30 8 27 32 8 29 30 8 13 3 5 14 5 6 5 17 8 5 21 8 8 21 8 8 27 8 9 17 8 9 33 8 $$$$