種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc2nc1nc(nc1c(n2)N)Cc3cc(OC)ccc3OC |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OC)c(Cc2[nH]c3c(N)nc(F)nc3n2)c1 |
SMILES | CACTVS | 3.341 | COc1ccc(OC)c(Cc2[nH]c3c(N)nc(F)nc3n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC |
InChI | InChI | 1.03 | InChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20) |
InChIKey | InChI | 1.03 | MWHAHELTVGJGFJ-UHFFFAOYSA-N |