種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc4ccc(c1nn2c(nnc2nc1)Cc3ccc(O)cc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C17H12FN5O/c18-13-5-3-12(4-6-13)15-10-19-17-21-20-16(23(17)22-15)9-11-1-7-14(24)8-2-11/h1-8,10,24H,9H2 |
InChIKey | InChI | 1.03 | NBRHZLRAQNRJSZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Cc2nnc3ncc(nn23)c4ccc(F)cc4)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(Cc2nnc3ncc(nn23)c4ccc(F)cc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O |