708857 -OEChem-10061700113D 28 29 0 0 0 0 0 0 0999 V2000 3.4107 -1.3436 -0.6106 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 0.9678 -0.1638 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 -1.2703 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 0.5576 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 -0.7530 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 -1.7625 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 0.0161 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1683 2.3790 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0205 0.4185 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -0.4493 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 -0.1774 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.9351 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 0.8354 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7379 -0.3535 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0979 0.4396 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5067 1.3179 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0537 -1.1342 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9261 -0.5883 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 -2.6879 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 -2.0161 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0602 2.9159 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4021 2.4987 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 2.8561 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1841 1.3997 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 -1.4069 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 1.7955 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 1.5968 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7503 -0.6881 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 M END > DB11156 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YSAUAVHXTIETRK-AATRIKPKSA-N/SDF?record_type=3d > [H]\C(=C(\[H])C1=NCCCN1C)C1=CC=CS1 > InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+ > YSAUAVHXTIETRK-AATRIKPKSA-N > C11H14N2S > 206.31 > 206.087769633 > 2 > 28 > 23.322536889394833 > 1 > 0 > 0 > 1 > 1-methyl-2-[(E)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine > 2.69 > 1.9635495253333333 > -3.24 > 0 > 2 > 1 > 10.71463975207852 > 15.6 > 61.81360000000001 > 2 > 1 > 1.18e-01 g/l > pyrantel > 1 $$$$