5322 -OEChem-10051719333D 34 35 0 0 0 0 0 0 0999 V2000 1.2215 -1.9618 -0.3840 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6471 -1.9141 -1.7149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 -3.0950 0.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 0.6417 -1.9624 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 0.3158 0.2417 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 -1.6959 0.7745 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4519 -0.5119 -0.6491 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 2.9072 0.3537 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 -0.5146 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2018 -0.9892 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 1.0321 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 -0.2119 1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 -0.8763 1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 -0.5395 0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 0.6170 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6392 0.1746 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 0.6029 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7118 1.7593 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.7523 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5827 2.5073 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1356 -2.1343 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1254 0.9076 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5402 0.6025 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 -0.0597 2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 -1.2969 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -1.4212 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 0.6440 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 0.5856 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 2.6490 -1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2518 2.6663 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8319 2.9504 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 3.0486 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3152 2.9039 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 3.7412 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 4 16 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 7 10 2 0 0 0 0 7 16 1 0 0 0 0 8 19 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > DB01298 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SIBQAECNSSQUOD-UHFFFAOYSA-N/SDF?record_type=3d > CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O > InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17) > SIBQAECNSSQUOD-UHFFFAOYSA-N > C12H14N4O3S > 294.33 > 294.078661024 > 5 > 34 > -0.0002652414674299001 > 29.390072288510083 > 1 > 2 > 0 > 1 > 4-amino-N-(1-ethyl-2-oxo-1,2-dihydropyrimidin-4-yl)benzene-1-sulfonamide > 0.51 > 0.05499847633333288 > -2.80 > 0 > 0 > 2 > 0 > 10.55258779894116 > 2.1717559647358744 > 104.86 > 75.488 > 3 > 1 > 4.68e-01 g/l > tetrahydrofolic acid > 0 $$$$