9939609 -OEChem-04252404372D 85 89 0 0 0 0 0 0 0999 V2000 6.3301 -4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 6.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 6.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -5.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 -3.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6234 -3.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 -5.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 -4.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6234 -6.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 -6.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 27 1 0 0 0 0 2 46 1 0 0 0 0 3 47 1 0 0 0 0 4 47 1 0 0 0 0 5 47 1 0 0 0 0 6 18 2 0 0 0 0 7 20 2 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 19 2 0 0 0 0 11 22 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 31 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 35 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 33 1 0 0 0 0 28 68 1 0 0 0 0 29 34 2 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 78 1 0 0 0 0 38 42 2 0 0 0 0 38 79 1 0 0 0 0 39 43 1 0 0 0 0 39 80 1 0 0 0 0 40 44 2 0 0 0 0 40 81 1 0 0 0 0 41 46 2 0 0 0 0 41 82 1 0 0 0 0 42 46 1 0 0 0 0 42 83 1 0 0 0 0 43 45 2 0 0 0 0 43 84 1 0 0 0 0 44 45 1 0 0 0 0 44 85 1 0 0 0 0 45 47 1 0 0 0 0 M END > 9939609 > 1 > 1120 > 8 > 0 > 13 > AAADcfB/scBAAAAAAAAAAAAAAAAAAQAAAAAwYMEAAAAAAEABUAAAHwQAAAAADAjF2ByzAIMAAAioAiVSdACCEAFgABAJiAGIBMgIYDKgmTGUIAhghgCIiUcYiMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide > N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide > N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide > N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide > N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide > N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorobenzyl)thio]-4-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide > InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 > WDPFJWLDPVQCAJ-UHFFFAOYSA-N > 7 > 666.26516029 > C36H38F4N4O2S > 666.8 > CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F > CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F > 81.5 > 666.26516029 > 0 > 47 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 10 19 8 12 16 8 16 18 8 24 28 8 24 29 8 28 33 8 29 34 8 32 33 8 32 34 8 35 37 8 35 38 8 36 39 8 36 40 8 37 41 8 38 42 8 39 43 8 40 44 8 41 46 8 42 46 8 43 45 8 44 45 8 8 12 8 8 19 8 $$$$