種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26) |
InChIKey | InChI | 1.06 | RJSIBZBOEOZVIR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n(cn2)Cc3ccncc3)c4ccnc5c4cc[nH]5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n(cn2)Cc3ccncc3)c4ccnc5c4cc[nH]5)F |