69242914 -OEChem-05062404022D 69 72 0 0 0 0 0 0 0999 V2000 10.4428 1.5776 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 1.4799 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.5219 3.0074 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1605 4.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0596 1.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 1.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1863 2.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2609 10.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 3.4116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7455 4.5975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7571 7.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6632 6.1113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3744 2.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7756 3.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 4.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1311 6.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 5.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 6.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 5.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6824 5.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 6.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 7.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1311 7.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7571 5.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 7.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6057 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6632 7.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5941 3.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4775 4.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3261 3.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3376 4.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0580 3.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9182 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7899 3.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9066 1.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6501 2.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7668 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6386 1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 1.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 2.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 3.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 2.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7324 2.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 3.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 5.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 5.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2226 6.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5942 7.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3142 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1328 0.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 8.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 4.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1989 7.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0537 2.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4846 5.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8781 4.3712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4620 3.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6650 3.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7971 3.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3661 1.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7597 0.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1719 1.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7979 10.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7240 10.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 14 1 0 0 0 0 2 26 1 0 0 0 0 3 39 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 7 32 1 0 0 0 0 7 35 1 0 0 0 0 8 68 1 0 0 0 0 8 69 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 48 1 0 0 0 0 10 25 1 0 0 0 0 10 28 1 0 0 0 0 10 57 1 0 0 0 0 11 23 1 0 0 0 0 11 29 2 0 0 0 0 12 25 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 17 24 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 27 1 0 0 0 0 24 27 2 0 0 0 0 24 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 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 35 63 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 64 1 0 0 0 0 38 40 2 0 0 0 0 38 65 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 M END > 69242914 > 1 > 898 > 10 > 3 > 11 > AAADceB7uQBEAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAACx/AAAHwYQCAAADA7l3i639vbIFEqoA6ZzZHDCiCk1J/AJ2KG+b9iOLvPF//uHPSjs0BPY6ae42fOeCEACAAICCAAQgAQABAQQAAAAAAAAAA== > N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine;hydrate > N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-4-quinazolinamine;hydrate > N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;hydrate > N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;hydrate > N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;hydrate > [5-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]quinazolin-6-yl]-2-furyl]methyl-(2-mesylethyl)amine;hydrate > InChI=1S/C29H26ClFN4O4S.H2O/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);1H2 > FVWLHZQHZLTUDB-UHFFFAOYSA-N > 598.1452970 > C29H28ClFN4O5S > 599.1 > CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.O > CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.O > 116 > 598.1452970 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 23 8 11 29 8 12 25 8 12 29 8 16 21 8 17 20 8 17 24 8 18 22 8 19 20 8 19 23 8 19 25 8 21 22 8 23 27 8 24 27 8 28 30 8 28 31 8 30 33 8 31 34 8 32 33 8 32 34 8 36 37 8 36 38 8 37 39 8 38 40 8 39 41 8 4 16 8 4 18 8 40 41 8 $$$$