646093 -OEChem-05052414542D 60 63 0 1 0 0 0 0 0999 V2000 6.4551 2.3784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7757 0.6973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2906 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.4448 -0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -0.7039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9448 -0.9119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.7094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9836 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1915 2.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9618 1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0055 1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1426 2.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -2.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7641 3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1053 3.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5719 2.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8329 0.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5682 1.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0907 2.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1344 2.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3990 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8766 1.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 -1.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 -0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3342 2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7323 3.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9510 3.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 0.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6628 2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1285 3.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -2.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3997 3.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -1.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 31 1 0 0 0 0 2 22 2 0 0 0 0 3 28 1 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 25 2 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 25 29 1 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 30 2 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > 646093 > 1 > 689 > 7 > 1 > 9 > AAADceB7sABAAAAAAAAAAAAAAAAAAWJAAAAwQAAAAAAAAACB8AAAHgQYAAAADIzF2waz14fIBAiuAidydACDCIMhKpBdiBkebMiMZirk+ZuUMChk1BPo6YewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA== > 3-[[[1-(1,1-dimethylpropyl)tetrazol-5-yl]methyl-(2-thienylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one > 6-methoxy-3-[[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one > 6-methoxy-3-[[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one > 6-methoxy-3-[[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one > 6-methoxy-3-[[[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one > 3-[[(1-tert-amyltetrazol-5-yl)methyl-(2-thenyl)amino]methyl]-6-methoxy-carbostyril > InChI=1S/C23H28N6O2S/c1-5-23(2,3)29-21(25-26-27-29)15-28(14-19-7-6-10-32-19)13-17-11-16-12-18(31-4)8-9-20(16)24-22(17)30/h6-12H,5,13-15H2,1-4H3,(H,24,30) > WKPYAPIEMDFBJN-UHFFFAOYSA-N > 3 > 452.19944533 > C23H28N6O2S > 452.6 > CCC(C)(C)N1C(=NN=N1)CN(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)OC)NC3=O > CCC(C)(C)N1C(=NN=N1)CN(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)OC)NC3=O > 113 > 452.19944533 > 0 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 20 8 1 31 8 19 21 8 19 22 8 20 25 8 21 23 8 23 24 8 23 26 8 24 27 8 25 29 8 26 28 8 27 30 8 28 30 8 29 31 8 4 14 8 4 6 8 6 8 8 7 14 8 7 8 8 9 22 8 9 24 8 $$$$