53313127 -OEChem-04242421092D 63 64 0 1 0 0 0 0 0999 V2000 11.9325 3.1350 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4836 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 5.8497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.1176 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9325 4.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4026 5.3671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6595 6.6223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3489 4.0623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 4.3671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3489 5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 7.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 8.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9325 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4026 4.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4325 2.2690 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6345 9.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4325 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4325 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9325 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4325 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 5.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9325 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4325 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 3.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4325 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 10.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4325 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4325 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4448 7.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6091 6.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8493 8.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6849 8.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 6.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1225 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0876 9.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 8.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1225 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4074 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4074 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1225 6.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 6.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7425 6.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 3.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4325 2.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4325 1.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5345 9.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 10.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3558 10.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8955 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1225 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9694 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1337 5.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9694 5.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7425 6.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8955 6.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 33 1 0 0 0 0 5 25 1 0 0 0 0 5 32 1 0 0 0 0 6 34 1 0 0 0 0 6 63 1 0 0 0 0 7 34 2 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 27 2 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 23 1 0 0 0 0 17 27 1 0 0 0 0 18 22 1 0 0 0 0 18 28 1 0 0 0 0 18 40 1 0 0 0 0 19 29 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 22 30 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 31 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 M END > 53313127 > 1 > 524 > 10 > 2 > 9 > AAADceB7sYBAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHwQQCAAADAzF3xa/v5/MHgioAzb3bACCiC0xOrAJ2Lo+fJiMbuLkuRuUMChs0BPo6CeQ0IMOIAAAgAAAIABAAAEAAABAAAAAAAAAAA== > N-butyl-2-(4-methoxy-3-sec-butylsulfanyl-phenyl)imidazo[1,2-a]pyrazin-3-amine;2,2,2-trifluoroacetic acid > 2-[3-(butan-2-ylthio)-4-methoxyphenyl]-N-butyl-3-imidazo[1,2-a]pyrazinamine;2,2,2-trifluoroacetic acid > 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-butylimidazo[1,2-a]pyrazin-3-amine;2,2,2-trifluoroacetic acid > 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-butylimidazo[1,2-a]pyrazin-3-amine;2,2,2-trifluoroacetic acid > 2-(3-butan-2-ylsulfanyl-4-methoxy-phenyl)-N-butyl-imidazo[1,2-a]pyrazin-3-amine;2,2,2-tris(fluoranyl)ethanoic acid > butyl-[2-[4-methoxy-3-(sec-butylthio)phenyl]imidazo[1,2-a]pyrazin-3-yl]amine;2,2,2-trifluoroacetic acid > InChI=1S/C21H28N4OS.C2HF3O2/c1-5-7-10-23-21-20(24-19-14-22-11-12-25(19)21)16-8-9-17(26-4)18(13-16)27-15(3)6-2;3-2(4,5)1(6)7/h8-9,11-15,23H,5-7,10H2,1-4H3;(H,6,7) > RAPWVAGXHCMYTO-UHFFFAOYSA-N > 498.19124646 > C23H29F3N4O3S > 498.6 > CCCCNC1=C(N=C2N1C=CN=C2)C3=CC(=C(C=C3)OC)SC(C)CC.C(=O)(C(F)(F)F)O > CCCCNC1=C(N=C2N1C=CN=C2)C3=CC(=C(C=C3)OC)SC(C)CC.C(=O)(C(F)(F)F)O > 114 > 498.19124646 > 0 > 34 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 13 8 10 17 8 11 27 8 11 31 8 12 13 8 16 20 8 16 23 8 17 27 8 18 28 3 20 21 8 21 25 8 23 26 8 24 31 8 25 26 8 8 12 8 8 17 8 8 24 8 $$$$