51358930 -OEChem-05082421522D 63 66 0 1 0 0 0 0 0999 V2000 5.1553 2.2337 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6099 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 4.9759 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.2439 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 5.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3678 4.1992 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6194 5.2337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6194 7.2337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2855 5.7129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3794 7.2684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4961 3.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2280 3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 5.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 6.7337 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4845 2.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3794 5.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2164 2.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3447 2.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 5.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 6.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 7.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6194 4.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1205 2.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3166 1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 3.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 8.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2085 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2855 6.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 2.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 4.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 2.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 3.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 2.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2908 4.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8843 3.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8373 3.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4468 4.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 7.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8752 2.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2657 2.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6194 7.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 7.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6753 6.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8315 3.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 4.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6575 2.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7726 0.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5074 8.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 8.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2674 8.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 0.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1989 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8212 7.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2903 2.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 4.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 1.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 4.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 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 21 2 0 0 0 0 6 38 1 0 0 0 0 6 63 1 0 0 0 0 7 38 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 10 16 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 18 2 0 0 0 0 11 31 1 0 0 0 0 12 22 1 0 0 0 0 12 31 2 0 0 0 0 13 17 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 22 2 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 26 2 0 0 0 0 23 28 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 26 52 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 33 35 2 0 0 0 0 33 60 1 0 0 0 0 34 36 2 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 62 1 0 0 0 0 37 38 1 0 0 0 0 M END > 51358930 > 1 > 711 > 10 > 2 > 4 > AAADceB7sYAAEAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx0AAAHwBQCAABrCjBmhQ3+JfIEgCoAifzfACCgCkxEKQJ2KGoVLiIaDLA2XGUJAholgLIijcQgIAOggAAAAAQAAAEAAAAACAAAAAAAAAAAA== > 5-[(4-bromophenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-7,8-dihydropteridin-6-one;2,2,2-tris(fluoranyl)ethanoic acid > 5-(4-bromobenzyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > InChI=1S/C24H24BrN5O.C2HF3O2/c1-2-20-24(31)30(13-16-7-9-19(25)10-8-16)21-22(28-20)26-15-27-23(21)29-12-11-17-5-3-4-6-18(17)14-29;3-2(4,5)1(6)7/h3-10,15,20H,2,11-14H2,1H3,(H,26,27,28);(H,6,7) > NIPZNOHNEXWWFM-UHFFFAOYSA-N > 591.10929 > C26H25BrF3N5O3 > 592.4 > CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCC4=CC=CC=C4C3)CC5=CC=C(C=C5)Br.C(=O)(C(F)(F)F)O > CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCC4=CC=CC=C4C3)CC5=CC=C(C=C5)Br.C(=O)(C(F)(F)F)O > 98.7 > 591.10929 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 18 8 11 31 8 12 22 8 12 31 8 15 18 8 15 22 8 16 23 3 19 20 8 19 25 8 20 26 8 25 29 8 26 30 8 27 32 8 27 33 8 29 30 8 32 34 8 33 35 8 34 36 8 35 36 8 $$$$