53316023 -OEChem-05122413362D 65 69 0 1 0 0 0 0 0999 V2000 2.7320 -4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 3 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 1.5000 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 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 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 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0000 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 4.5981 -2.5000 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 3.7320 -3.0000 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 6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 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 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0000 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 5.4641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 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 12.1901 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -0.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -0.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 20 1 0 0 0 0 4 39 1 0 0 0 0 5 20 2 0 0 0 0 6 32 1 0 0 0 0 6 38 1 0 0 0 0 7 34 1 0 0 0 0 7 38 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 27 2 0 0 0 0 21 30 1 0 0 0 0 22 28 1 0 0 0 0 22 49 1 0 0 0 0 23 29 2 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 31 2 0 0 0 0 25 52 1 0 0 0 0 26 33 2 0 0 0 0 26 37 1 0 0 0 0 27 32 1 0 0 0 0 27 53 1 0 0 0 0 28 35 2 0 0 0 0 28 55 1 0 0 0 0 29 35 1 0 0 0 0 29 56 1 0 0 0 0 30 36 2 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 33 58 1 0 0 0 0 34 36 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 M END > 53316023 > 1 > 933 > 8 > 1 > 8 > AAADceB7OYAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEgBUAAAHwAQAAAADCzBmBczDoPABACoAiTSbACCCAEgIAAJiIEOjMidJjqEuRukMCpuwBOOqUe42PKOIAADAAAAQABAAAYAAACAAAAAAAAAAA== > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 6-methyl-4-phenyl-2-(piperonylamino)-1-[3-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C29H26F3N3O4/c1-18-25(27(36)37-2)26(21-8-4-3-5-9-21)34-28(33-15-19-11-12-23-24(14-19)39-17-38-23)35(18)16-20-7-6-10-22(13-20)29(30,31)32/h3-14,26H,15-17H2,1-2H3,(H,33,34) > GUBFHADIPLOBIY-UHFFFAOYSA-N > 5 > 537.18754081 > C29H26F3N3O4 > 537.5 > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C(=O)OC > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C(=O)OC > 72.4 > 537.18754081 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 3 16 22 8 16 23 8 17 24 8 17 25 8 21 27 8 21 30 8 22 28 8 23 29 8 24 26 8 25 31 8 26 33 8 27 32 8 28 35 8 29 35 8 30 36 8 31 33 8 32 34 8 34 36 8 $$$$