HMDB0247533 RDKit 3D 5-(5-Iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine 38 39 0 0 0 0 0 0 0 0999 V2000 -4.4027 2.4940 -0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 2.8660 -0.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 1.9139 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 0.6139 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 -0.3129 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 -1.6688 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -1.8287 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 -2.7287 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0459 0.0690 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.8506 0.3373 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.6328 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 -1.3087 -0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4456 -1.1032 -0.6704 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -0.2218 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4402 -0.0378 0.0811 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 0.4317 1.0486 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 0.2559 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 0.9610 2.0958 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 1.3737 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 2.2748 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 4.2583 -1.0910 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 1.5344 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7183 2.4573 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0434 3.2999 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 0.3226 0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3078 -1.8679 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 -1.2264 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4236 -2.9029 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 -1.6581 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -3.0917 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 -2.3341 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -3.5852 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6533 -2.0091 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 0.6901 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 -0.6399 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 0.4683 2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 2.0137 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 1.7105 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 5 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 9 19 1 0 19 20 2 0 20 21 1 0 20 3 1 0 17 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 12 33 1 0 15 34 1 0 15 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 M END