HMDB0244786 RDKit 3D 1-Tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 37 39 0 0 0 0 0 0 0 0999 V2000 -3.2278 1.5291 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 0.5731 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 -0.6016 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 1.3115 -1.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 0.1836 -0.2306 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 0.9293 -0.1926 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 0.1785 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 0.6852 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 0.2317 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 0.7079 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 1.6684 0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 2.2856 0.5407 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7244 2.1400 1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4394 1.6729 1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 -1.1184 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 -2.3443 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 -2.3889 0.3496 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 -3.4741 0.2222 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -3.4450 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7352 -2.2720 -0.0606 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -1.1233 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 2.0935 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4244 2.2066 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6073 0.9454 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7346 -1.1342 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 -0.2209 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5671 -1.2954 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 1.2087 -2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8063 0.8736 -2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 2.4085 -1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 -0.5119 -1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2671 0.3225 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 2.9145 1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 2.0557 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 -1.9953 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 -2.8127 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -4.3878 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 5 1 0 14 8 1 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 9 31 1 0 10 32 1 0 13 33 1 0 14 34 1 0 17 35 1 0 17 36 1 0 19 37 1 0 M END