-ISIS- 08251613562D 27 29 0 0 0 0 0 0 0 0999 V2000 1.3167 -1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -3.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 13 1 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 14 4 1 0 0 0 0 15 19 2 0 0 0 0 16 23 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 16 1 0 0 0 0 20 10 1 0 0 0 0 21 12 1 0 0 0 0 22 14 1 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 26 17 1 0 0 0 0 27 21 1 0 0 0 0 9 11 2 0 0 0 0 5 8 1 0 0 0 0 10 12 2 0 0 0 0 M END > (STL086048) STL086048 > (STL086048) 7 > (STL086048) 3.332 > (STL086048) 74.73 > (STL086048) 1 > (STL086048) 4 > (STL086048) 3 > (STL086048) N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine > (STL086048) 369.42 > (STL086048) C20H23N3O4 > (STL086048) COc1ccc(cc1OC)CCNc1ncnc2c1cc(OC)c(c2)OC $$$$