3777900 -OEChem-10051721273D 26 26 0 0 0 0 0 0 0999 V2000 0.9009 -0.8707 -0.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2862 0.4523 -0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 0.9023 -0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 0.4847 0.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 2.6764 0.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 0.1279 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 -0.5457 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 -0.4324 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 -0.8373 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 -1.3586 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8684 -1.7615 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 1.2858 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 -0.1231 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 0.7555 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8218 0.7758 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 -1.2065 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3701 -1.1638 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 -2.4245 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -2.3958 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8103 -1.2031 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 -2.3968 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7234 -0.6953 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3204 0.6851 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 -0.7664 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 3.3183 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0826 3.0133 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 8 2 0 0 0 0 3 12 1 0 0 0 0 4 9 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END > DB08786 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VCJHOFUOIQHNBC-UHFFFAOYSA-N/SDF?record_type=3d > COCCOC1=NC(N)=NC(C)=C1 > InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11) > VCJHOFUOIQHNBC-UHFFFAOYSA-N > C8H13N3O2 > 183.2077 > 183.100776675 > 5 > 26 > 0.32179473771842065 > 19.56501392145115 > 1 > 1 > 0 > 1 > 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine > 1.05 > 0.42077644899999966 > -1.23 > 0 > 0 > 1 > 0 > 16.337195887478362 > 5.72447606032889 > 70.26 > 49.78040000000001 > 4 > 1 > 1.08e+01 g/l > biotin > 0 $$$$