HMDB0249307 RDKit 3D N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine 44 47 0 0 0 0 0 0 0 0999 V2000 3.7985 -3.6105 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -2.8604 -0.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 -1.4836 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1267 -0.7486 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 0.6351 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8152 1.2929 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 0.5437 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3937 1.2620 -0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 0.6337 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 1.4013 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 0.7463 0.0666 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 1.5041 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 0.6125 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8585 0.9554 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9574 0.1417 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8628 -1.0541 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6418 -1.4323 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 -0.5885 1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8286 -2.6617 1.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -3.2393 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7724 -2.0743 0.9975 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 2.7358 -0.1252 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 3.3548 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 4.7696 -0.3057 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 2.6144 -0.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 -0.8224 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 -3.2914 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -3.4309 0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 -4.6923 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 -1.2400 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9272 1.2303 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 2.3747 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -0.4481 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2498 -0.2837 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 2.0876 1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5977 2.2079 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8947 1.9027 -0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9054 0.4437 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -0.9098 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8205 -3.8646 0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5105 -3.7995 2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 5.2382 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 5.2791 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8701 -1.4316 -0.3544 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 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 10 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 7 26 2 0 26 3 1 0 25 8 1 0 18 13 1 0 21 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 9 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 15 38 1 0 18 39 1 0 20 40 1 0 20 41 1 0 24 42 1 0 24 43 1 0 26 44 1 0 M END