null CDK 0224162155 null 21 23 0 0 0 0 0 0 0 0999 V2000 5.3194 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 -0.3721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -0.6855 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 1.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 1.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 1.6387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0025 2.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 2.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 3.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2996 3.8210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 7 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 3 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > CHEBI:93143 > 2-chloro-N-(2-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide > 2 > C14H16ClN3O2S > 325.815 > 325.06518 > 0 > CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCl > InChI=1S/C14H16ClN3O2S/c1-2-10-16-13-12(8-5-3-4-6-9(8)21-13)14(20)18(10)17-11(19)7-15/h2-7H2,1H3,(H,17,19) > CUVDDEYCMGFIJT-UHFFFAOYSA-N > LSM-3456 $$$$