65154 -OEChem-03292405462D 17 18 0 0 0 0 0 0 0999 V2000 7.6648 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 0.9947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -1.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 M END > 65154 > 1 > 342 > 2 > 4 > 0 > AAADcYBjsAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAEAAAAAADgAQAAAACAgBgAABAALAAACoAAVQdACAAAEAAAABAACAAECAQAAAACAQAAAIBQIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-amino-7,9-dihydro-3H-purine-6,8-dione > 2-amino-7,9-dihydro-3H-purine-6,8-dione > 2-amino-7,9-dihydro-3H-purine-6,8-dione > 2-amino-7,9-dihydro-3H-purine-6,8-dione > 2-azanyl-7,9-dihydro-3H-purine-6,8-dione > 2-amino-7,9-dihydro-3H-purine-6,8-quinone > InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) > CLGFIVUFZRGQRP-UHFFFAOYSA-N > -2.2 > 167.04432442 > C5H5N5O2 > 167.13 > C12=C(NC(=NC1=O)N)NC(=O)N2 > C12=C(NC(=NC1=O)N)NC(=O)N2 > 109 > 167.04432442 > 0 > 12 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 10 8 3 8 8 4 10 8 4 9 8 5 12 8 5 8 8 6 11 8 6 12 8 8 9 8 9 11 8 $$$$