4469987 -OEChem-10051720283D 17 17 0 0 0 0 0 0 0999 V2000 -2.3083 0.7791 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.7757 -0.0003 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2247 -1.2595 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 0.6121 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 0.0965 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2732 0.1224 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -1.3912 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 2.2537 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0701 -1.9887 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0363 -1.9737 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 2.5939 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 2.6915 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6163 2.5956 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 -1.7739 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1847 -3.0651 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 0.0155 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5745 1.6146 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 M CHG 1 2 1 M END > DB04103 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UPHQQDZIRIHPHU-UHFFFAOYSA-O/SDF?record_type=3d > C[N+]1=C(N)C=CNC1=O > InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,6,7,9)/p+1 > UPHQQDZIRIHPHU-UHFFFAOYSA-O > C5H8N3O > 126.1365 > 126.066736893 > 2 > 17 > 0.9707391993525262 > 12.261037262529236 > 1 > 2 > 1 > 0 > 6-amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium > -1.69 > -4.301929061805079 > -1.15 > 0 > 1 > 1 > 1 > 19.065645014537917 > 8.520816361846094 > 58.13 > 33.6452 > 0 > 1 > 1.15e+01 g/l > biotin > 0 $$$$