種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c23sc(Sc1cc(OC(F)(F)F)ccc1)c(c2c(N)nc(n3)N)C |
InChI | InChI | 1.03 | InChI=1S/C14H11F3N4OS2/c1-6-9-10(18)20-13(19)21-11(9)24-12(6)23-8-4-2-3-7(5-8)22-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21) |
InChIKey | InChI | 1.03 | DAABFILHHVUIKM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Sc2cccc(OC(F)(F)F)c2)sc3nc(N)nc(N)c13 |
SMILES | CACTVS | 3.385 | Cc1c(Sc2cccc(OC(F)(F)F)c2)sc3nc(N)nc(N)c13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N |