68725801 -OEChem-03292400522D 53 56 0 1 0 0 0 0 0999 V2000 5.0321 -1.8660 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 -0.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6162 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 4 13 2 0 0 0 0 5 12 2 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > 68725801 > 1 > 495 > 5 > 1 > 5 > AAADceB7oAAAAgAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAwAAAADAzDngYz9vfIFACgAyZiZACCiCkhIqAJmCA+bJiMLqLE+duENChs0BPI6CeQ0IMOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > N-[1-iodo-1-(4-methoxyphenyl)ethyl]-2-(1-piperidyl)quinazolin-4-amine > N-[1-iodo-1-(4-methoxyphenyl)ethyl]-2-(1-piperidinyl)-4-quinazolinamine > N-[1-iodo-1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine > N-[1-iodo-1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine > N-[1-iodanyl-1-(4-methoxyphenyl)ethyl]-2-piperidin-1-yl-quinazolin-4-amine > [1-iodo-1-(4-methoxyphenyl)ethyl]-(2-piperidinoquinazolin-4-yl)amine > InChI=1S/C22H25IN4O/c1-22(23,16-10-12-17(28-2)13-11-16)26-20-18-8-4-5-9-19(18)24-21(25-20)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,24,25,26) > DGVHMANABFOFQM-UHFFFAOYSA-N > 5.6 > 488.10731 > C22H25IN4O > 488.4 > CC(C1=CC=C(C=C1)OC)(NC2=NC(=NC3=CC=CC=C32)N4CCCCC4)I > CC(C1=CC=C(C=C1)OC)(NC2=NC(=NC3=CC=CC=C32)N4CCCCC4)I > 50.3 > 488.10731 > 0 > 28 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 1 3 13 15 8 15 16 8 15 19 8 16 20 8 17 21 8 17 22 8 19 23 8 20 24 8 21 25 8 22 26 8 23 24 8 25 27 8 26 27 8 4 12 8 4 13 8 5 12 8 5 16 8 $$$$