null CDK 0224162332 null 28 31 0 0 0 0 0 0 0 0999 V2000 -0.3984 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3409 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 4 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 3 1 0 0 0 0 19 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 15 28 1 0 0 0 0 M END > CHEBI:108423 > 3,7-dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione > 2 > C21H21N5O2 > 375.425 > 375.16952 > 0 > CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C > InChI=1S/C21H21N5O2/c1-24-17-18(23-20(24)22-13-15-9-5-3-6-10-15)25(2)21(28)26(19(17)27)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,23) > ZEUFAGMUQAKCPC-UHFFFAOYSA-N > LSM-19799 $$$$