種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C21H20FN7O2/c1-27(11-9-22)21(31)16-13-23-28(2)18(16)20(30)24-15-8-10-29-17(12-15)25-19(26-29)14-6-4-3-5-7-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,30) |
InChIKey | InChI | 1.03 | IOYJTSXZJKAYPP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CCF)C(=O)c1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES | CACTVS | 3.385 | CN(CCF)C(=O)c1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N(C)CCF)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N(C)CCF)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4 |