68833375 -OEChem-03282411162D 68 71 0 0 0 0 0 0 0999 V2000 5.1350 -3.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 7.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 3.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 4.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 5.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 5.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 5.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 5.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 5.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 5.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -4.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 37 1 0 0 0 0 3 16 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 55 1 0 0 0 0 7 25 2 0 0 0 0 7 40 1 0 0 0 0 8 26 1 0 0 0 0 8 65 1 0 0 0 0 8 66 1 0 0 0 0 9 34 1 0 0 0 0 9 40 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 2 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 3 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 34 2 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 31 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 32 1 0 0 0 0 29 58 1 0 0 0 0 30 33 2 0 0 0 0 30 59 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 36 38 2 0 0 0 0 36 63 1 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 M END > 68833375 > 1 > 853 > 7 > 2 > 13 > AAADceB7sQAEAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHwIQAAAADA7hmi4//pbIFADoEjZnfAiCiCkxJ+AJ2CAub5mMLuPF+9uOPCjs0BPI6CewwOAOgEACAAIQCAAAgAQABCAQAAAAAAAAAA== > [2-butyl-3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]methyl carbamate > carbamic acid [2-butyl-3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-5-pyrimidinyl]ethynyl]phenyl]methyl ester > [2-butyl-3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]methyl carbamate > [2-butyl-3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]methyl carbamate > [2-butyl-3-[2-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]pyrimidin-5-yl]ethynyl]phenyl]methyl carbamate > carbamic acid [2-butyl-3-[2-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]pyrimidin-5-yl]ethynyl]benzyl] ester > InChI=1S/C31H28ClFN4O3/c1-2-3-10-27-22(7-5-8-24(27)19-40-31(34)38)11-12-23-17-35-20-36-30(23)37-26-13-14-29(28(32)16-26)39-18-21-6-4-9-25(33)15-21/h4-9,13-17,20H,2-3,10,18-19H2,1H3,(H2,34,38)(H,35,36,37) > QBVDHBDJXIAQAR-UHFFFAOYSA-N > 7.3 > 558.1833966 > C31H28ClFN4O3 > 559.0 > CCCCC1=C(C=CC=C1C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)COC(=O)N > CCCCC1=C(C=CC=C1C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)COC(=O)N > 99.4 > 558.1833966 > 0 > 40 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 15 8 14 17 8 15 19 8 17 20 8 19 20 8 23 25 8 23 34 8 24 29 8 24 30 8 27 32 8 27 33 8 29 32 8 30 33 8 31 35 8 31 36 8 35 37 8 36 38 8 37 39 8 38 39 8 7 25 8 7 40 8 9 34 8 9 40 8 $$$$