24789249 -OEChem-05062419312D 62 65 0 1 0 0 0 0 0999 V2000 7.1962 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 19 1 0 0 0 0 5 36 1 0 0 0 0 6 19 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 19 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 21 48 1 0 0 0 0 22 27 2 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 23 49 1 0 0 0 0 24 31 2 0 0 0 0 24 50 1 0 0 0 0 25 28 2 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 32 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 34 2 0 0 0 0 29 54 1 0 0 0 0 30 33 2 0 0 0 0 30 55 1 0 0 0 0 31 33 1 0 0 0 0 31 56 1 0 0 0 0 32 35 2 0 0 0 0 32 37 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 M END > 24789249 > 1 > 853 > 7 > 1 > 8 > AAADceB7McAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAHwAQAAAADCjBmB4zCIPABACoAiTSbACCAAEgAAAJiIEIBMiIJDqAuRGEMAhugAKIqUeYyOCOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > (4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > methyl (4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[[3-(trifluoromethyl)benzyl]amino]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C28H25F4N3O2/c1-18-24(26(36)37-2)25(21-11-7-13-23(29)15-21)34-27(35(18)17-19-8-4-3-5-9-19)33-16-20-10-6-12-22(14-20)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,33,34)/t25-/m0/s1 > REABKVXDQCTQIX-VWLOTQADSA-N > 5.2 > 511.18828970 > C28H25F4N3O2 > 511.5 > CC1=C(C(N=C(N1CC2=CC=CC=C2)NCC3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)F)C(=O)OC > CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)F)C(=O)OC > 53.9 > 511.18828970 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 15 20 8 15 21 8 17 23 8 17 24 8 20 25 8 21 26 8 22 27 8 22 29 8 23 30 8 24 31 8 25 28 8 26 28 8 27 32 8 29 34 8 30 33 8 31 33 8 32 35 8 34 35 8 $$$$