種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)/b20-16+ |
InChIKey | InChI | 1.03 | RYBNARZBIXTFJS-CAPFRKAQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(OC)cc4F)c23)n1 |
SMILES | CACTVS | 3.385 | COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(OC)cc4F)c23)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | [H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC |
SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccc(c(c1)F)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2 |