null CDK 0224162332 null 28 31 0 0 0 0 0 0 0 0999 V2000 -3.8837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -3.9979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 -3.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9435 -4.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -4.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -4.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 2 0 0 0 0 18 10 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 13 27 1 0 0 0 0 11 28 1 0 0 0 0 M END > CHEBI:108190 > 2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine > 2 > C21H27N5OS > 397.539 > 397.19363 > 0 > CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCCN4CCCC4)C)C > InChI=1S/C21H27N5OS/c1-4-27-18-9-7-17(8-10-18)26-16(3)19-15(2)22-23-21(20(19)24-26)28-14-13-25-11-5-6-12-25/h7-10H,4-6,11-14H2,1-3H3 > YVEXVFVRGDSMHQ-UHFFFAOYSA-N > LSM-19567 $$$$