657298 -OEChem-10051719173D 21 21 0 0 0 0 0 0 0999 V2000 2.2642 -2.6325 0.1699 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 2.3532 0.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 -1.0910 -0.2512 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 0.0398 0.1792 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 0.0059 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5508 0.1021 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -0.0498 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 1.2725 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3366 -0.1216 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 -1.1692 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 1.2907 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 0.8736 -1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2143 -0.8720 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 -0.9254 1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6636 0.8360 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 -1.9532 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 2.2249 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5683 -1.0150 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 0.7576 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9219 -0.1629 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 0.0082 0.3841 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 6 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M END > DB00550 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KNAHARQHSZJURB-UHFFFAOYSA-N/SDF?record_type=3d > CCCC1=CC(=O)NC(=S)N1 > InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11) > KNAHARQHSZJURB-UHFFFAOYSA-N > C7H10N2OS > 170.232 > 170.051383642 > 1 > 21 > -0.07526328941535812 > 17.793220385184945 > 1 > 2 > 0 > 1 > 6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one > 1.53 > 1.203742354333333 > -2.56 > 0 > 0 > 1 > 0 > 12.89374875852081 > 8.089442965478288 > -2.9166377722651 > 41.13 > 48.90429999999999 > 2 > 1 > 4.66e-01 g/l > tetrahydrofolic acid > 0 $$$$