種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FCCOc1c(OC)ccc(c1)c2nc(c(s2)CC)CSc3nc(N)cc(n3)N |
InChI | InChI | 1.03 | InChI=1S/C19H22FN5O2S2/c1-3-15-12(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-13(26-2)14(8-11)27-7-6-20/h4-5,8-9H,3,6-7,10H2,1-2H3,(H4,21,22,24,25) |
InChIKey | InChI | 1.03 | BLYJASYJWHXVPZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(OCCF)c3 |
SMILES | CACTVS | 3.370 | CCc1sc(nc1CSc2nc(N)cc(N)n2)c3ccc(OC)c(OCCF)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N |