10219702 -OEChem-10051721073D 22 23 0 0 0 0 0 0 0999 V2000 -3.1794 0.3735 -0.4858 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 2.5981 0.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 -1.3693 -0.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 0.7051 0.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3231 -0.7910 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.7394 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4448 0.5522 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 -1.1376 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 1.3317 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8316 1.3732 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.5946 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 -1.3021 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 -2.1573 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 -2.5872 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -1.8538 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -0.9046 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 1.7336 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 2.1802 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -2.3819 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 -0.5847 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4539 -1.8699 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 -1.9921 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 2 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > DB07677 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HRYKZAKEAVZGJD-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NC2=C(CSCC2)C(=O)N1 > InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11) > HRYKZAKEAVZGJD-UHFFFAOYSA-N > C8H10N2OS > 182.243 > 182.051383642 > 2 > 22 > 0.9410288811659233 > 18.756392230686853 > 1 > 1 > 0 > 1 > 2-methyl-3H,4H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one > 0.33 > -0.1260044276666663 > -1.88 > 0 > 0 > 2 > 0 > 8.210916372867015 > 4.368574162650684 > 41.46 > 50.1772 > 0 > 1 > 2.39e+00 g/l > biotin > 0 $$$$