16195562 -OEChem-05092409022D 76 81 0 0 0 0 0 0 0999 V2000 8.9942 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -1.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7884 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7884 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7884 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7884 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7918 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5889 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6670 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2684 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7138 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1123 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5889 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7918 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3855 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 0.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 0.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9502 -1.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -1.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 0.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -0.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 -2.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1914 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4084 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7884 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1684 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1914 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3233 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1684 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7884 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4084 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 2 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 15 2 0 0 0 0 4 36 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 28 1 0 0 0 0 8 36 1 0 0 0 0 8 40 1 0 0 0 0 9 30 1 0 0 0 0 9 40 1 0 0 0 0 9 73 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 25 1 0 0 0 0 16 29 1 0 0 0 0 17 22 2 0 0 0 0 17 50 1 0 0 0 0 18 33 2 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 24 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 27 2 0 0 0 0 21 35 1 0 0 0 0 22 32 1 0 0 0 0 22 41 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 32 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 26 36 1 0 0 0 0 27 60 1 0 0 0 0 28 31 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 39 1 0 0 0 0 31 37 2 0 0 0 0 31 38 1 0 0 0 0 32 66 1 0 0 0 0 33 37 1 0 0 0 0 33 67 1 0 0 0 0 34 38 2 0 0 0 0 34 68 1 0 0 0 0 35 39 2 0 0 0 0 35 69 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 39 70 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 M END > 16195562 > 1 > 944 > 6 > 1 > 5 > AAADcfB/sABAAAAAAAAAAAAAAAAAAAAAAAA8ePECAAAAAACxUAAAHgQQAAAADAjhmAYzwIPABACMAiVSUACCAAAlAgkIiAEIZMiKYDrA1ZGXIYholwLYyecciACOQACAQAACAACAAQCAAAQAAAAAAAAAAA== > 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one > 3-[[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one > 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one > 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one > 3-[[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one > 3-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one > InChI=1S/C32H35N5O3S/c1-22-3-4-23(2)29(19-22)35-11-13-36(14-12-35)30(38)25-7-5-24(6-8-25)21-37-31(39)27-20-26(34-15-17-40-18-16-34)9-10-28(27)33-32(37)41/h3-10,19-20H,11-18,21H2,1-2H3,(H,33,41) > QLKQEXCDZHXQOC-UHFFFAOYSA-N > 4.3 > 569.24606117 > C32H35N5O3S > 569.7 > CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S > CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S > 100 > 569.24606117 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 16 25 8 17 22 8 18 33 8 18 34 8 21 27 8 21 35 8 22 32 8 25 32 8 26 27 8 26 30 8 26 36 8 30 39 8 31 37 8 31 38 8 33 37 8 34 38 8 35 39 8 8 36 8 8 40 8 9 30 8 9 40 8 $$$$