種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2c1c(C(N(C)C=C1)=O)nc(c2)c3cn(nn3)c4ccc(c(c4)F)O |
InChI | InChI | 1.03 | InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3 |
InChIKey | InChI | 1.03 | VGLQAFZICPSJRO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4 |
SMILES | CACTVS | 3.385 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)c(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O |